data_2crr_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 2crr _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 ' 16' ' ' HIS . . . . . 0.494 ' CG ' HG13 ' A' ' 82' ' ' ILE . 24.7 m170 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.0 mm-40 -31.7 -42.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.42 HD13 ' C ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -71.72 -54.92 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.2 mt -41.59 -49.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.3 mt -48.87 -43.21 38.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 t -65.7 -46.07 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -49.58 -38.02 29.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -66.95 -58.9 4.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.512 HD22 ' CD1' ' A' ' 50' ' ' PHE . 71.2 mt -47.29 -40.92 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -51.36 -42.74 61.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.76 138.59 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.09 -27.7 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.3 -32.12 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -117.53 31.9 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 24.0 mttp -90.15 -15.07 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 30' ' ' LYS . 2.8 m-85 -138.77 154.79 48.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.8 t -46.03 159.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.71 43.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.97 -68.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.9 p -86.85 -0.56 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.481 ' HB2' ' CD ' ' A' ' 107' ' ' ARG . 2.5 tp10 47.87 42.44 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . -63.04 -179.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -110.55 102.48 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.88 59.46 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 11.8 tpp85 -62.71 -75.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -47.35 163.0 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.59 136.4 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.05 104.78 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 45.6 p-90 -69.19 -48.54 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 2.6 t30 -38.99 -37.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.45 -43.36 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.9 44.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.456 HG13 ' CB ' ' A' ' 93' ' ' ALA . 26.9 m -148.37 153.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.512 ' CD1' HD22 ' A' ' 24' ' ' LEU . 98.1 m-85 -95.55 126.07 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.35 159.63 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -75.77 -175.81 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 54' ' ' ARG . 6.0 tt -72.98 -48.0 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' N ' HG21 ' A' ' 53' ' ' ILE . 6.7 tmm_? -51.53 -58.09 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 91.5 m -58.34 -48.24 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.2 -46.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.36 79.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' A' ' 115' ' ' GLU . 10.2 mt -61.44 -47.03 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -49.24 -49.08 44.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.415 ' NH1' ' HB ' ' A' ' 69' ' ' VAL . 27.4 mtp85 -51.07 -43.44 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -55.24 -46.64 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 mt -42.82 -51.75 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.08 148.9 6.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.99 -8.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -94.51 -26.47 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -92.39 -48.58 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -156.02 128.9 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -102.16 120.27 40.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.415 ' HB ' ' NH1' ' A' ' 60' ' ' ARG . 60.2 t -96.13 134.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -158.12 152.89 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.5 m -65.42 145.87 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 2.7 t -69.27 -41.11 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ASP . 35.0 t30 -116.15 -55.4 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 4.0 mp -43.73 -22.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' ASN . 28.7 t0 -112.81 165.39 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -92.62 152.06 19.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 15.6 m95 -132.45 173.88 10.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 p -139.41 148.72 43.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.54 -48.27 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -49.01 -47.37 44.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 29.3 mt-30 -74.11 -37.05 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.494 HG13 ' CG ' ' A' ' 16' ' ' HIS . 22.9 mm -55.95 -61.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.7 -38.33 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.14 -50.7 72.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -43.73 -45.3 7.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -77.92 -52.51 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -44.16 -46.13 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -96.81 -71.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 179.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -68.65 -37.2 79.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.3 m -43.26 -71.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.2 -45.52 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.456 ' CB ' HG13 ' A' ' 49' ' ' VAL . . . -41.4 -41.63 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -71.83 -45.12 62.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.21 -5.62 28.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.519 HD13 ' CE1' ' A' ' 128' ' ' TYR . 1.1 tm? -111.16 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.728 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 86.9 m-85 -68.96 -48.6 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -84.53 33.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.97 -35.81 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -95.68 21.52 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.429 HD23 ' CD2' ' A' ' 127' ' ' TYR . 25.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.481 ' CD ' ' HB2' ' A' ' 36' ' ' GLU . 42.6 mtt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.46 42.67 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -98.83 -38.38 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 p -83.66 137.68 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 112' ' ' GLN . 5.0 p-10 -55.97 -52.19 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' ASP . 3.5 pt20 -34.73 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -91.9 -53.98 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 58' ' ' ILE . 60.1 t -39.87 -58.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.429 ' CG ' HG12 ' A' ' 58' ' ' ILE . 6.9 mt-10 -40.16 -53.57 2.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 117' ' ' PHE . 17.2 m-85 -66.8 -59.66 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.4 t80 -36.36 -58.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 97.9 mt -58.05 -44.8 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 123' ' ' GLU . 27.0 mtp85 -58.94 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -61.52 -20.59 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 49.0 tttp -78.1 -44.34 26.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.728 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 71.7 m-85 -104.71 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 119' ' ' ARG . 14.5 tt0 -50.35 -55.84 13.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -82.39 -16.62 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 33.5 mmtm 59.45 29.61 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -49.72 -68.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -84.74 38.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.519 ' CE1' HD13 ' A' ' 96' ' ' LEU . 58.8 t80 -99.39 120.39 39.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.9 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.753 0.311 . . . . 0.0 110.814 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -48.22 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.27 -51.31 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' LYS . 64.0 mt -44.78 -64.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.0 mt -39.61 -45.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -66.86 -38.19 85.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 11.7 mttm -65.33 -40.47 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 50' ' ' PHE . 69.8 mt -59.01 -52.8 64.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -40.08 -35.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.05 126.69 28.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -44.32 -24.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -66.54 -41.17 89.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.483 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 31.8 m-20 -113.79 30.4 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -83.82 -26.24 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -129.34 166.98 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 t -58.15 158.46 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.73 8.42 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -134.12 -59.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.6 p -99.1 6.06 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 42.3 35.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.87 168.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -96.89 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.42 67.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.66 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -55.07 173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -167.7 138.27 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -96.51 107.9 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.557 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 51.6 p-90 -72.28 -45.82 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.9 t30 -46.64 -40.26 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -89.05 -49.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 38.82 2.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 93' ' ' ALA . 31.5 m -143.04 162.44 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CD2' ' HB3' ' A' ' 29' ' ' ASN . 84.9 m-85 -103.48 118.34 36.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 pt -122.06 161.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.7 p -77.56 178.26 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 tt -69.41 -35.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.1 tmm_? -59.76 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 76.9 m -55.78 -48.55 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.57 -50.24 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.2 -42.02 16.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.59 -37.62 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.075 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.51 -50.21 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -48.79 -43.7 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.7 m-80 -56.39 -51.86 66.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.4 mt -35.34 -57.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 136.61 3.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.2 m -47.1 -41.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.526 ' CD2' HG13 ' A' ' 66' ' ' ILE . 48.0 p-80 -62.77 -30.85 71.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.526 HG13 ' CD2' ' A' ' 65' ' ' HIS . 16.6 mt -86.25 -62.76 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.4 m -151.75 128.84 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -99.6 153.99 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.2 t -127.11 131.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 13.4 ptmm? -156.56 138.8 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 52.0 m -53.65 145.13 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 4.2 t -71.44 -58.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -63.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 27.4 mt -37.65 -54.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.7 158.74 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -93.62 141.08 28.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.5 m95 -123.84 163.65 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.1 p -133.78 169.12 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 -41.48 23.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -52.7 -52.22 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.456 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 7.3 mp0 -71.62 -49.32 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.42 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 42.9 mm -50.23 -58.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -46.69 -46.73 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.06 -47.82 81.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.474 ' HE1' ' CZ ' ' A' ' 50' ' ' PHE . 85.7 mmm -47.83 -52.95 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 2.8 mp0 -67.71 -48.51 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.9 -63.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.27 -73.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.57 172.79 1.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.67 -44.59 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.47 ' N ' HH21 ' A' ' 94' ' ' ARG . 25.3 m -38.53 -68.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -59.58 -49.82 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.441 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . . . -38.42 -38.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.47 HH21 ' N ' ' A' ' 91' ' ' THR . 59.4 mtm180 -74.56 -45.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.24 -8.32 23.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.579 HD13 ' CE1' ' A' ' 128' ' ' TYR . 1.2 tm? -108.36 -68.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.656 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 96.4 m-85 -69.77 -49.23 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.7 34.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.86 -30.6 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -99.86 22.14 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.7 33.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.24 -38.49 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.7 p -82.19 144.68 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -45.54 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -39.41 -40.38 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.1 -55.07 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' GLU . 94.5 t -39.85 -65.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -34.41 -53.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.488 ' N ' ' OE1' ' A' ' 115' ' ' GLU . 9.1 m-85 -62.62 -55.36 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 39.8 t80 -40.31 -48.96 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.04 -34.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -71.3 -10.61 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.89 -19.21 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 28.0 tttt -83.93 -29.13 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.656 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 34.6 m-85 -114.07 -59.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.76 -59.01 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -75.53 -18.12 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.562 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 38.0 mmtm 59.07 29.03 18.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -48.05 -67.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.39 38.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.579 ' CE1' HD13 ' A' ' 96' ' ' LEU . 41.0 t80 -94.77 123.45 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.9 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' GLN . 2.9 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.33 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' HIS . 4.8 mm-40 -33.38 -51.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.7 -54.75 41.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -43.33 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -46.23 -47.33 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -62.1 -40.24 95.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.48 -35.48 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.21 -46.2 71.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 50' ' ' PHE . 61.1 mt -55.37 -40.32 71.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -49.38 -33.29 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.81 130.91 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -48.4 -25.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 1.3 m-20 -115.04 26.38 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -86.33 -26.55 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -130.46 154.6 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.3 t -41.88 161.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.34 6.08 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.47 -54.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.1 p -102.96 8.05 39.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 107' ' ' ARG . 14.5 mm-40 42.08 33.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.38 165.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -97.18 108.9 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.13 59.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 81.57 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.373 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -58.36 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -46.83 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.91 125.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.71 104.59 14.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 41.9 p-90 -66.3 -53.43 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.49 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 16.8 t30 -33.89 -41.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.454 HD13 ' CE2' ' A' ' 122' ' ' TYR . 58.2 mt -95.46 -40.81 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 43.51 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 93' ' ' ALA . 27.2 m -142.65 146.73 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -89.97 118.29 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.8 pt -125.14 154.16 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -71.71 -179.96 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 tp -68.65 -48.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -50.28 -60.19 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 m -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.06 -53.82 15.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.43 -37.99 3.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.406 HG21 ' CG ' ' A' ' 115' ' ' GLU . 3.9 mp -77.36 -37.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.404 ' NE2' HG21 ' A' ' 118' ' ' ILE . 4.3 m-70 -58.08 -45.11 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -50.54 -48.14 57.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' LEU . 87.5 m-20 -49.1 -49.86 39.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ASN . 23.2 mt -34.38 -53.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 142.73 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.32 -31.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 66' ' ' ILE . 39.4 p-80 -67.79 -30.66 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 65' ' ' HIS . 26.1 mt -87.27 -53.98 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 18.8 t -157.0 152.33 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.6 mtt85 -119.52 125.63 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 70' ' ' LYS . 61.6 t -99.75 137.16 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.403 ' N ' HG11 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -164.57 155.78 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -65.67 175.58 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.34 -39.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.04 -52.17 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.0 mt -50.28 -46.44 55.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.15 150.86 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -90.96 142.62 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.8 m95 -118.6 177.78 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.4 p -137.04 149.9 47.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.5 -46.98 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -45.56 -60.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.549 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 74.5 mt-30 -67.44 -44.26 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 39.8 mm -49.25 -64.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -39.15 -42.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.3 m -64.26 -51.89 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mmm -40.35 -54.52 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 8.4 mp0 -63.92 -53.43 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.27 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 tpt -63.08 -73.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 54.08 -174.47 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.422 ' OD1' ' CG ' ' A' ' 29' ' ' ASN . 5.5 m120 -69.16 -32.89 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.4 m -49.65 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -59.29 -41.31 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.485 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -49.61 -38.87 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -75.71 -42.75 50.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.58 -4.17 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -114.27 -61.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CE1' ' CE2' ' A' ' 122' ' ' TYR . 90.4 m-85 -76.45 -49.4 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.85 35.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.45 -40.08 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -87.29 13.59 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.474 HD21 ' CD2' ' A' ' 127' ' ' TYR . 21.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.949 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 12.0 mtt85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -72.01 -23.33 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.5 p -87.18 130.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -53.5 48.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.01 -48.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.14 -49.2 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.25 -59.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.406 ' CG ' HG21 ' A' ' 58' ' ' ILE . 20.3 tt0 -42.46 -54.7 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 119' ' ' ARG . 8.6 m-85 -62.0 -59.25 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 32.0 t80 -35.97 -57.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . 0.404 HG21 ' NE2' ' A' ' 59' ' ' HIS . 80.3 mt -58.5 -39.5 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 19.1 mtp180 -63.89 -57.34 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.0 -19.52 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 75.4 tttt -80.72 -43.54 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.454 ' CE2' HD13 ' A' ' 47' ' ' ILE . 58.8 m-85 -103.95 -61.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 9.1 tt0 -46.44 -60.72 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.62 -20.3 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.0 mmtp 62.43 26.12 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -47.08 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.474 ' CD2' HD21 ' A' ' 101' ' ' LEU . 3.2 m-85 -82.23 38.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.527 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 66.5 t80 -99.91 118.52 36.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 m170 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -60.68 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.28 -56.58 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.3 mt -47.58 -53.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.7 mt -44.26 -44.3 7.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -65.24 -39.02 92.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.63 -45.29 83.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.513 HD23 ' CG ' ' A' ' 50' ' ' PHE . 32.9 mt -59.74 -47.59 85.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 7.5 mtp-105 -44.28 -39.84 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.82 137.27 56.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 37.4 tt0 -53.11 -32.92 49.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -25.23 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -123.38 28.17 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.17 -24.7 32.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -132.07 158.61 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.4 t -46.64 162.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.69 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -134.3 -55.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.57 3.63 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 78.3 mm-40 43.75 37.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.41 177.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -105.13 97.33 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.16 64.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.84 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.745 2.297 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 11.2 tpp180 -65.35 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 62.3 m95 -50.73 171.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . . . -164.86 122.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.62 105.14 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.455 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 48.9 p-90 -66.72 -47.69 71.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -39.83 -45.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 122' ' ' TYR . 21.9 mt -89.68 -49.4 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.83 44.44 1.21 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' CB ' ' A' ' 93' ' ' ALA . 28.9 m -146.96 151.46 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CG ' HD23 ' A' ' 24' ' ' LEU . 91.8 m-85 -88.81 128.04 35.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.54 154.6 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.49 -176.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.3 tp -75.62 -36.11 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 54' ' ' ARG . 7.6 tmm_? -59.08 -48.28 82.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.4 m -69.98 -43.02 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -42.44 -48.77 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.42 -41.8 63.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.3 mt -63.09 -42.18 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.428 ' CB ' ' CG2' ' A' ' 69' ' ' VAL . 15.2 m-70 -56.04 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -49.74 -47.59 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' LEU . 57.4 m-20 -53.99 -52.23 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' ASN . 20.4 mt -33.98 -52.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.35 147.33 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.25 -28.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.069 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.483 ' CD2' HG13 ' A' ' 66' ' ' ILE . 19.8 p-80 -73.82 -29.23 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.483 HG13 ' CD2' ' A' ' 65' ' ' HIS . 27.0 mt -86.93 -58.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -152.67 163.62 39.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.445 ' HG3' ' CZ2' ' A' ' 45' ' ' TRP . 8.2 mmm180 -119.48 168.28 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.428 ' CG2' ' CB ' ' A' ' 59' ' ' HIS . 60.5 t -147.05 130.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -163.79 158.25 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 3.6 m -61.15 175.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 t -109.85 -38.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.08 -37.73 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 91.1 mt -60.69 -52.05 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.38 164.4 15.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -91.87 148.89 21.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -123.63 166.96 14.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.4 p -127.01 157.57 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.16 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.11 -50.28 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.455 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 46.9 mt-30 -68.05 -44.33 76.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.9 mm -54.95 -57.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -47.33 -39.28 14.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -62.92 -42.91 99.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.0 mmm -52.64 -50.3 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -70.67 -46.77 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.75 -62.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.6 tpt -74.52 -74.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.19 173.52 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -70.21 -41.78 73.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -41.41 -69.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -60.23 -43.76 95.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.467 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -74.22 -43.65 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.96 -3.13 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.502 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -113.04 -63.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.5 -47.36 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.467 ' CB ' HD11 ' A' ' 101' ' ' LEU . 44.1 mt-10 -86.26 35.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.76 -41.8 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -89.98 21.79 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.467 HD11 ' CB ' ' A' ' 98' ' ' GLU . 22.2 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.637 0.732 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 136.87 33.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -96.41 -39.62 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.1 p -77.81 138.72 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' GLN . 11.5 p-10 -56.79 -49.27 75.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 25.1 pt20 -38.37 -43.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -81.26 -55.09 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 113' ' ' ALA . 59.6 t -37.7 -57.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -44.54 -43.51 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ARG . 37.4 m-85 -75.53 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 121' ' ' LYS . 15.9 t80 -37.51 -53.57 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.53 -38.32 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' GLU . 34.1 mtt180 -63.4 -50.75 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.86 -9.75 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' A' ' 117' ' ' PHE . 53.2 tttt -99.57 -20.02 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.562 ' CD2' HD12 ' A' ' 47' ' ' ILE . 52.7 m-85 -122.2 -51.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' ARG . 12.2 tt0 -63.84 -72.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -63.36 -24.55 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.09 38.3 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -59.95 -59.84 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.16 32.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.502 ' CE1' HD11 ' A' ' 96' ' ' LEU . 79.1 t80 -95.01 118.25 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.445 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 4.1 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -40.34 -52.08 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -55.06 -57.92 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.72 -60.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.6 mt -42.82 -47.38 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -51.68 -44.25 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.463 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 22.8 mt -59.82 -57.78 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 50' ' ' PHE . 50.7 mt -48.92 -48.27 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -43.28 -43.22 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.78 145.35 19.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 3.3 tp10 -59.36 -36.72 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.93 -22.22 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -121.48 24.97 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.4 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.3 -17.27 43.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.434 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 8.8 m-85 -141.55 151.43 43.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.9 t -38.86 159.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' C ' ' OD1' ' A' ' 34' ' ' ASP . . . -90.31 0.5 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 33' ' ' ALA . 2.3 m-20 -126.98 -61.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.81 4.95 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 pt-20 39.99 43.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -178.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -106.92 98.44 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 62.49 0.76 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.79 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.414 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.15 -70.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.459 ' NE1' HD12 ' A' ' 53' ' ' ILE . 57.2 m95 -49.35 163.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.39 120.18 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.48 114.96 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 46.1 p-90 -74.9 -54.2 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -37.95 -32.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.401 HD12 ' CD2' ' A' ' 122' ' ' TYR . 70.4 mt -100.86 -47.43 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.94 42.44 2.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.421 HG12 ' CB ' ' A' ' 93' ' ' ALA . 35.9 m -144.52 153.42 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CD1' HD21 ' A' ' 24' ' ' LEU . 97.2 m-85 -93.81 126.92 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.4 pt -128.3 159.3 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.94 -176.68 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 ' NE1' ' A' ' 42' ' ' TRP . 5.4 tp -72.76 -29.34 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.1 tmm_? -66.7 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.4 m -52.33 -44.85 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.54 -46.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -46.37 76.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -59.69 -37.68 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -59.98 -46.51 89.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -57.53 -45.7 84.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.3 m-20 -53.15 -51.3 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' ASN . 24.5 mt -36.78 -55.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.31 138.16 3.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.5 m -47.67 -36.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -65.21 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.5 mt -84.47 -61.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -148.53 147.71 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.454 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.5 mtp180 -118.04 149.42 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.4 t -123.27 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -156.1 137.16 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -47.41 167.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 8.6 t -100.87 -50.5 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -52.16 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.2 mt -48.44 -41.69 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -96.26 161.42 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -92.15 150.33 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -127.29 165.28 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.1 p -122.28 147.68 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.18 -45.26 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -52.87 -43.86 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -76.18 -34.99 59.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.408 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 9.2 mm -57.57 -51.05 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' MET . 2.7 m -46.96 -60.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' CYS . 83.2 mmm -36.65 -56.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.463 ' OE1' ' CD1' ' A' ' 23' ' ' LEU . 3.7 mp0 -63.48 -47.83 80.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -52.61 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.5 tpt -73.38 -75.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.62 156.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -52.54 -39.92 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -40.48 -70.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -61.52 -45.1 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.421 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -40.81 -41.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -70.21 -46.95 63.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.13 -7.44 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.46 HD12 ' CE1' ' A' ' 128' ' ' TYR . 0.8 OUTLIER -107.74 -67.3 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.401 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 77.0 m-85 -71.14 -50.08 37.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.465 ' CB ' HD11 ' A' ' 101' ' ' LEU . 39.9 mt-10 -86.89 36.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.47 -40.44 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.9 19.33 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 98' ' ' GLU . 18.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 145.62 57.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -105.93 -37.13 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 111' ' ' ASP . 34.3 p -73.34 117.89 15.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.3 OUTLIER -34.74 -58.76 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.1 mp0 -35.31 -58.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.62 -50.16 70.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.38 -40.45 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.4 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -73.77 -53.99 9.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 31.5 t80 -43.79 -61.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 76.7 mt -55.15 -38.84 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 35.3 mtp85 -61.3 -56.82 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.45 -10.04 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.441 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 57.5 tttt -91.3 -39.02 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.401 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 75.1 m-85 -108.2 -44.37 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -66.71 -68.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -67.37 -22.21 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.504 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.8 mmtp 59.19 37.0 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -58.24 -73.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.463 ' CD2' HD21 ' A' ' 101' ' ' LEU . 6.3 m-85 -66.19 -18.65 65.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.504 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 85.5 t80 -46.34 126.8 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.4 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.775 0.322 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -52.6 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -46.34 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -42.1 -56.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.417 HD13 ' CG1' ' A' ' 72' ' ' VAL . 36.3 mt -48.41 -43.73 34.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -65.01 -44.45 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.76 -48.78 63.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.9 mt -52.66 -43.86 65.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.12 -13.06 10.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -118.24 36.6 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -119.64 29.41 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 44.74 25.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 7.8 p30 -123.77 -37.84 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 47.0 m-80 -117.23 21.69 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -60.69 -29.99 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.71 165.1 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.0 t -53.57 161.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 3.19 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 121' ' ' LYS . 2.6 m-20 -126.7 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.1 p -88.85 -4.18 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE1' ' CZ ' ' A' ' 107' ' ' ARG . 91.7 mt-10 52.2 39.29 26.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.33 130.76 43.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.21 117.43 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.44 59.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 87.19 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.6 -70.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.468 ' NE1' HD13 ' A' ' 53' ' ' ILE . 48.4 m95 -59.73 167.29 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.09 130.84 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -89.32 113.19 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 63.4 p-90 -73.04 -50.67 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -44.37 -31.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 122' ' ' TYR . 96.3 mt -97.46 -40.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.82 40.31 4.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.9 m -146.4 153.66 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.4 118.81 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 pt -121.31 164.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -81.67 177.22 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.8 tp -64.94 -48.09 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.438 ' N ' HG21 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.8 -62.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 68.5 m -54.28 -45.54 72.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.78 -52.79 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.54 -48.78 7.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 5.0 mp -62.32 -44.51 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -52.58 -45.08 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 60' ' ' ARG . 29.0 mtp180 -53.25 -50.11 65.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -53.67 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.498 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 33.5 mt -32.98 -50.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.04 133.56 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.5 m -47.72 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -79.61 -35.53 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.525 HG13 ' CD2' ' A' ' 65' ' ' HIS . 36.6 mt -78.71 -54.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.461 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 51.2 m -159.64 130.49 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -98.54 152.92 19.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -127.22 134.23 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -158.8 142.83 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 17.6 m -57.09 138.1 54.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 14.5 t -61.99 -47.22 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' LEU . 12.6 t30 -107.12 -65.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 73' ' ' ASN . 30.2 mt -32.45 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -99.0 158.91 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.8 145.26 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.0 m95 -124.0 176.56 6.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.9 p -136.84 155.25 50.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -46.9 -50.56 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.562 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 6.4 mp0 -67.21 -49.83 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.8 mm -48.47 -62.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.6 -48.77 14.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 m -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -38.31 -47.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -71.28 -44.84 64.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.62 -57.72 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.4 tpt -84.05 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.75 174.73 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.457 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 5.0 m-20 -68.51 -41.51 79.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.2 m -39.63 -64.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' LEU . 48.4 mttm -67.47 -47.57 69.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.29 -40.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -74.28 -38.61 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 92' ' ' LYS . 11.8 mt -76.65 -5.5 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 128' ' ' TYR . 1.0 OUTLIER -110.14 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 87.4 m-85 -73.61 -48.22 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -84.79 34.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.09 -37.9 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -89.14 18.39 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 18.8 ttp-105 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.554 0.692 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.6 48.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -108.05 -38.5 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.1 p -81.04 143.8 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 m-20 -52.11 -47.9 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.5 tp-100 -37.07 -44.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.84 -56.01 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 115' ' ' GLU . 62.0 t -42.35 -66.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 114' ' ' VAL . 5.9 tp10 -32.69 -55.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.72 -47.75 83.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.525 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 38.5 t80 -43.74 -61.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.79 -39.41 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -68.55 -8.71 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -124.83 -10.76 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 14.4 ttpt -93.73 -37.02 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 m-85 -106.62 -47.48 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -65.48 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -72.54 -21.42 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.505 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 55.4 mmtt 58.17 36.85 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -57.16 -65.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 33.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.558 ' CE1' HD13 ' A' ' 96' ' ' LEU . 69.0 t80 -90.53 122.22 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 82' ' ' ILE . 16.0 m170 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' HIS . 10.6 mm100 -36.24 -67.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -48.9 -60.08 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 89.3 mt -38.83 -58.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.9 mt -42.88 -42.84 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -68.43 -38.75 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -59.85 -36.15 76.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 10.8 mt -69.64 -42.6 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 50' ' ' PHE . 79.0 mt -58.67 -44.6 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -49.68 -31.41 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -67.11 135.82 54.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 11.8 tt0 -51.7 -32.66 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -33.65 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 3.7 m-20 -116.95 26.96 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 9.6 mmtp -82.75 -17.8 42.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.42 164.61 29.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.2 t -51.38 156.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.16 5.68 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.64 -60.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.6 p -94.39 6.6 48.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.439 ' CG ' ' HD3' ' A' ' 107' ' ' ARG . 7.2 mm-40 40.28 35.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.31 149.96 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -81.73 107.53 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.62 63.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.21 -70.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.464 ' NE1' HD11 ' A' ' 53' ' ' ILE . 54.5 m95 -57.25 168.91 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.04 136.68 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.8 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 43.4 p-90 -67.44 -53.79 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.664 ' ND2' ' H ' ' A' ' 68' ' ' ARG . 2.2 p30 -33.89 -40.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.8 mt -95.4 -45.49 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.38 41.32 2.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 29.9 m -140.97 146.54 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' HD21 ' A' ' 24' ' ' LEU . 94.7 m-85 -90.54 123.85 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.7 pt -128.4 167.12 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.63 -178.88 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.464 HD11 ' NE1' ' A' ' 42' ' ' TRP . 5.2 tp -71.14 -35.89 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.439 ' N ' HG22 ' A' ' 53' ' ' ILE . 7.9 tmm_? -58.76 -62.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 86.2 m -56.07 -44.62 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.07 -52.69 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -39.79 7.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.453 HG12 ' CB ' ' A' ' 115' ' ' GLU . 3.3 mp -74.43 -37.31 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.45 -42.39 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 6.7 mtp-105 -56.5 -42.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' LEU . 4.2 m-20 -55.31 -47.38 75.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 31.9 mt -34.41 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.05 144.49 5.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.5 m -57.2 -16.75 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CD2' HG13 ' A' ' 66' ' ' ILE . 24.6 p-80 -88.74 -26.94 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.411 HG13 ' CD2' ' A' ' 65' ' ' HIS . 21.4 mt -89.85 -47.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -156.29 146.74 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.664 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 25.9 mtm180 -124.15 93.87 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.73 135.98 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -155.67 148.83 24.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.9 m -65.77 133.6 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 2.2 t -62.4 -34.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.89 -67.41 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.8 mt -37.94 -34.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.06 159.9 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -95.61 119.12 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 18.5 m95 -99.78 166.27 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' ALA . 59.2 p -133.15 151.45 51.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.61 -49.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.64 -51.07 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.575 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -62.95 -25.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 16' ' ' HIS . 18.0 mm -80.94 -29.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -67.43 -28.92 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 85' ' ' MET . 13.0 p -81.22 -43.22 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.497 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 80.8 mmm -49.27 -42.0 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.5 OUTLIER -81.71 -59.86 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -42.71 -40.14 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -98.71 -74.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 -162.76 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -98.12 -28.25 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.6 m -59.37 -43.14 92.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -87.98 -37.38 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -59.68 -36.17 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 95' ' ' LEU . 31.6 ptt180 -71.85 -47.39 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 26.4 mt -68.45 -13.22 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 128' ' ' TYR . 1.6 tm? -97.56 -67.65 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.88 -48.59 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.35 37.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' LEU . . . -95.92 -43.79 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.1 23.42 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 58.5 mtm-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.04 41.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -104.47 -40.08 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.5 t -81.71 126.02 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLN . 3.8 t70 -43.5 -50.8 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' ASP . 33.9 tt0 -37.01 -34.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.06 -49.08 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLU . 59.5 t -48.24 -63.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.453 ' CB ' HG12 ' A' ' 58' ' ' ILE . 12.8 tt0 -36.7 -56.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' ARG . 11.0 m-85 -58.97 -58.49 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 29.6 t80 -36.64 -53.24 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.8 -37.75 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 123' ' ' GLU . 23.4 mtp85 -68.21 -59.42 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.81 -9.12 25.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 16.8 ttpp -95.3 -43.16 8.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . 3.9 tm-20 -64.29 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -73.83 -25.62 60.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 24.1 mmtp 61.45 40.13 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -61.36 -71.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.18 -18.69 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 86.4 t80 -47.96 118.22 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLN . 19.2 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' HIS . 47.9 mm-40 -35.9 -53.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.407 ' HG ' ' CE ' ' A' ' 22' ' ' LYS . 60.9 tp -55.43 -53.9 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.5 mt -49.85 -61.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 77' ' ' TRP . 38.1 mt -41.81 -43.84 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -66.02 -40.88 91.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CE ' ' HG ' ' A' ' 18' ' ' LEU . 13.5 mttm -55.55 -44.06 76.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.4 -49.46 76.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.58 -42.55 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -53.32 -43.85 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -44.91 158.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.85 25.04 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 90' ' ' ASN . 2.8 t70 -120.16 -37.07 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -106.02 27.07 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -72.66 -27.05 61.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -133.71 175.1 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.401 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.7 t -61.38 165.42 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.23 -3.63 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 36.0 m-20 -120.87 -54.12 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' GLU . 22.8 p -106.56 10.13 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 49.6 mm-40 36.89 39.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 156.44 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -86.63 106.57 17.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.12 64.09 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 86.56 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -62.1 162.0 10.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.52 120.51 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -80.76 101.57 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 69.1 p-90 -66.03 -47.89 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.427 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 3.8 t30 -43.74 -39.08 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 122' ' ' TYR . 71.9 mt -90.08 -50.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.404 ' C ' HG13 ' A' ' 49' ' ' VAL . . . 109.0 41.8 1.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.404 HG13 ' C ' ' A' ' 48' ' ' GLY . 35.8 m -151.07 152.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -93.7 125.6 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.78 169.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.49 178.25 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 54' ' ' ARG . 17.2 tt -70.39 -38.14 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -56.38 -62.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 72.3 m -57.85 -40.08 79.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.38 -53.07 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.7 -38.84 30.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mp -72.5 -41.91 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.54 -52.23 48.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.7 mtp-105 -45.61 -50.8 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' LEU . 83.1 m-20 -48.57 -48.41 38.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 33.1 mt -36.8 -52.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.35 137.73 3.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.0 m -50.58 -26.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.0 p-80 -75.47 -28.59 59.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.571 HG13 ' CD2' ' A' ' 65' ' ' HIS . 32.8 mt -89.05 -56.75 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.4 m -149.88 130.27 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -109.88 76.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.6 t -40.84 130.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -138.57 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.1 p -102.51 135.66 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.79 -52.39 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 74' ' ' LEU . 62.5 t30 -89.26 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 73' ' ' ASN . 47.4 mt -32.35 -48.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -101.04 163.13 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.97 160.84 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 16.8 m95 -129.19 143.3 50.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.0 p -106.58 155.55 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.66 -46.16 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.73 -64.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.9 -47.2 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -47.3 -56.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -50.54 -44.59 56.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -52.51 -45.36 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -50.7 -58.69 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -58.51 -46.09 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.96 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.03 -72.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 170.82 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.8 m120 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' ASN . 93.8 m -34.49 -67.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 95' ' ' LEU . 29.8 mtpt -64.11 -52.22 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -35.88 -37.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -74.34 -44.36 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' LYS . 14.4 mt -69.58 -7.61 40.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.415 ' C ' HD11 ' A' ' 96' ' ' LEU . 0.5 OUTLIER -110.22 -63.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' TYR . 80.2 m-85 -73.86 -46.26 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.466 ' CB ' HD12 ' A' ' 101' ' ' LEU . 17.6 mt-10 -89.36 36.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.07 -41.72 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -81.53 14.1 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.466 HD12 ' CB ' ' A' ' 98' ' ' GLU . 52.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.94 179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 5.0 ptp180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.43 27.87 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -88.92 -43.69 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 p -74.36 136.34 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 p-10 -50.41 -56.05 13.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.3 pt20 -32.74 -44.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.88 -57.68 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 94.3 t -37.77 -57.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -43.63 -52.98 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.49 -56.93 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 34.6 t80 -42.63 -55.3 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.15 -35.51 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 41.2 mtt180 -65.04 -57.0 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 5.5 m-20 -70.45 -13.82 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 44.8 tttt -86.33 -45.3 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 47' ' ' ILE . 51.7 m-85 -98.99 -51.95 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.1 tt0 -60.53 -71.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -64.94 -24.07 67.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 62.3 32.04 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -51.95 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 3.8 m-85 -82.81 36.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -99.55 118.86 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' GLN . 6.2 m170 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' HIS . 51.9 mm-40 -34.18 -62.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.96 -52.73 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 mt -49.56 -59.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.5 mt -45.55 -41.67 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -72.51 -36.97 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.34 -41.45 76.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.68 -51.18 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 mt -52.07 -49.46 63.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -41.11 -42.79 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.02 140.42 37.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 17.0 tt0 -55.99 -34.85 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.27 -17.69 59.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -126.1 21.17 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 16.3 mmtp -78.67 -22.27 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -138.38 158.98 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 14.7 t -44.45 155.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.43 1.09 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -126.27 -72.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 p -82.42 -2.11 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 16.2 mm-40 47.37 42.99 14.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.62 176.71 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.69 105.64 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . 107.94 63.42 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' ARG . 53.8 Cg_endo -69.79 18.97 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 40' ' ' PRO . 13.3 mmt180 -27.18 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' PRO . 65.1 m95 -45.78 152.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.48 147.44 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.61 87.32 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.47 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 27.5 p-90 -46.11 -40.74 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 26.7 t30 -46.55 -40.82 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 122' ' ' TYR . 88.1 mt -97.34 -48.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.1 41.7 1.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 26.1 m -141.19 155.2 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 98.6 m-85 -98.79 119.03 36.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.6 pt -121.16 166.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.91 -175.72 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.8 tp -73.49 -42.03 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.3 tmm_? -55.21 -66.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 94.3 m -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.34 -45.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.97 73.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.44 HG23 ' CG ' ' A' ' 115' ' ' GLU . 9.2 mt -67.43 -40.85 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 9.3 m-70 -55.95 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -53.15 -45.5 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' LEU . 97.6 m-20 -52.0 -50.96 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 17.8 mt -36.9 -53.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 132.86 132.62 3.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 m -40.86 -34.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.9 p-80 -66.87 -40.38 87.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 65' ' ' HIS . 25.1 mt -79.62 -55.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.464 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 1.2 t -143.78 154.21 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' N ' ' HG ' ' A' ' 67' ' ' SER . 15.5 mtt180 -133.22 98.19 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 59' ' ' HIS . 58.7 t -74.65 139.24 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 11.4 ptmm? -164.58 134.39 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.61 165.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 2.7 t -90.48 -40.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -104.81 -53.7 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 38.1 mt -49.12 -33.81 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.6 155.92 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -90.06 130.41 36.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 18.1 m95 -117.23 168.2 10.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 46.7 p -133.54 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.431 ' CB ' ' NE2' ' A' ' 16' ' ' HIS . . . -36.41 -44.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.65 -55.22 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -63.02 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.7 mm -50.03 -56.7 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -40.6 -49.13 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' MET . 93.7 m -49.64 -58.75 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.497 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 83.8 mmm -34.33 -59.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -63.08 -48.51 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.91 -53.6 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.1 tpt -86.6 -73.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.83 167.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 m120 -62.17 -44.37 96.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 59.2 m -37.52 -66.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -63.13 -50.75 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.431 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.81 -44.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -69.62 -43.93 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.405 ' C ' ' HB1' ' A' ' 99' ' ' ALA . 17.8 mt -72.55 -4.87 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.518 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -110.16 -68.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 122' ' ' TYR . 83.4 m-85 -76.7 -44.77 32.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.49 ' HG3' ' CD1' ' A' ' 101' ' ' LEU . 23.2 tt0 -89.47 36.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . 0.405 ' HB1' ' C ' ' A' ' 95' ' ' LEU . . . -114.92 -34.13 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 129' ' ' ASP . 18.8 m-80 -90.9 19.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 98' ' ' GLU . 18.4 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.51 40.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -105.43 -37.91 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.3 p -85.06 128.75 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.8 m-20 -41.59 -47.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' ASP . 11.1 tt0 -34.82 -43.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -90.18 -52.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.8 t -42.65 -54.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.44 ' CG ' HG23 ' A' ' 58' ' ' ILE . 17.4 tt0 -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' ARG . 41.3 m-85 -76.24 -58.57 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.574 ' CZ ' ' HE3' ' A' ' 121' ' ' LYS . 25.9 t80 -34.12 -51.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.56 -40.04 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.9 mtp-105 -64.25 -60.19 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.46 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 3.6 m-20 -65.05 -11.47 39.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.574 ' HE3' ' CZ ' ' A' ' 117' ' ' PHE . 10.2 ttmt -89.29 -42.96 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 47' ' ' ILE . 52.0 m-85 -106.73 -48.6 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' ARG . 13.3 tt0 -59.59 -57.69 11.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 35.8 mmtm -80.34 -23.24 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm 63.04 31.1 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -54.88 -66.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.423 ' C ' ' HB2' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -83.95 35.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.518 ' CE1' ' CD1' ' A' ' 96' ' ' LEU . 55.5 t80 -91.48 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.468 ' HB2' ' ND2' ' A' ' 100' ' ' ASN . 5.3 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 10.0 m-70 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' HIS . 3.3 mm100 -35.77 -69.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.413 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 4.0 tt -39.64 -54.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.83 -51.85 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.18 -38.8 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -67.66 -46.04 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 49.0 mttt -46.58 -48.87 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.443 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 16.8 mt -54.15 -57.26 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' A' ' 50' ' ' PHE . 46.4 mt -58.64 -20.09 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -106.33 37.81 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -130.65 31.79 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 43.87 25.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.21 -43.06 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.401 ' OD1' ' CG ' ' A' ' 90' ' ' ASN . 1.0 OUTLIER -113.19 29.48 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.47 -32.26 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 15.5 m-85 -134.41 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.0 t -57.24 163.84 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -2.89 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.58 -71.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.1 p -79.19 -4.41 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 14.4 mm-40 50.09 40.82 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.29 153.83 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 10.3 ttpt -85.92 114.43 22.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.82 58.32 0.94 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -62.61 -71.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -55.98 167.2 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.63 127.57 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -82.4 112.44 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CE3' ' OE1' ' A' ' 81' ' ' GLN . 56.3 p-90 -72.18 -44.63 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -48.29 -45.16 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.0 mt -85.75 -41.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.34 4.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.03 163.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' A' ' 24' ' ' LEU . 96.4 m-85 -102.96 115.65 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.6 pt -119.76 159.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -74.87 -178.63 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.1 tt -72.27 -41.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.47 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.8 tmm_? -55.86 -65.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.0 m -49.43 -50.15 41.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.11 -50.68 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.47 -49.4 8.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -49.38 -47.18 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.28 -45.67 80.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 44.0 m-20 -53.95 -51.24 64.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 61' ' ' ASN . 31.9 mt -33.35 -52.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.05 137.01 3.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.2 m -52.48 -27.22 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.408 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.8 p-80 -78.08 -23.83 47.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.408 HG13 ' CD2' ' A' ' 65' ' ' HIS . 39.3 mt -91.35 -58.42 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -157.68 139.0 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -106.35 171.62 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -138.93 142.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.53 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 13.9 ptmm? -169.25 149.58 4.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.478 ' CB ' HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -59.28 171.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 21.5 t -101.18 -30.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -119.29 -52.61 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.478 HD13 ' CB ' ' A' ' 71' ' ' SER . 4.3 mp -46.21 -28.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.66 144.2 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -83.09 121.18 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.53 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 11.5 m0 -97.4 170.08 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -126.69 141.19 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -38.13 -45.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.16 -45.17 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.589 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 13.8 mm-40 -73.42 -41.41 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 16' ' ' HIS . 50.0 mm -49.69 -62.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.4 tp60 -34.27 -54.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 76.1 m -40.9 -59.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLY . 94.2 mmm -36.11 -57.95 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.443 ' OE1' ' CD1' ' A' ' 23' ' ' LEU . 3.9 mp0 -63.22 -53.9 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -43.66 -43.75 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.2 tpt -99.64 -74.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' MET . . . 63.73 167.37 1.06 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.401 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 3.3 m-20 -62.87 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 m -38.53 -65.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.93 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.08 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -37.32 63.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.63 -3.34 56.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 128' ' ' TYR . 1.0 OUTLIER -109.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 88.9 m-85 -70.08 -50.09 44.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 36.0 mt-10 -86.87 36.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.8 -31.86 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -97.31 20.68 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 127' ' ' TYR . 16.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.454 ' CG ' ' HA ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.84 136.01 31.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -103.59 -37.13 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 111' ' ' ASP . 5.9 t -90.03 125.82 35.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 110' ' ' THR . 3.5 t0 -34.28 -54.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.4 mt-30 -35.51 -64.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.73 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.47 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 86.2 t -38.96 -54.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -49.14 -53.49 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -56.98 -51.37 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 71.2 t80 -46.6 -41.57 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 65.9 mt -81.9 -33.05 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -73.78 -7.45 52.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.92 -15.43 6.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 17.8 tttp -87.82 -45.6 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 33.8 m-85 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.87 -70.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -65.06 -21.19 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.521 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 42.2 mmtt 60.25 39.95 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -61.63 -72.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.469 ' CD2' HD21 ' A' ' 101' ' ' LEU . 7.0 m-85 -66.94 -12.96 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 96' ' ' LEU . 83.8 t80 -53.69 120.0 5.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLN . 40.0 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.725 0.297 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' HIS . 13.7 mp0 -33.88 -62.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' ILE . 11.1 tp -46.71 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' LEU . 43.4 mt -35.04 -68.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' A' ' 72' ' ' VAL . 10.6 mt -42.94 -45.25 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -64.76 -38.87 92.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -59.79 -36.37 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.3 mt -67.55 -55.05 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 50' ' ' PHE . 56.9 mt -48.09 -43.27 30.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -45.96 -33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -66.21 137.69 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.6 -31.68 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 91' ' ' THR . 2.5 t70 -67.35 -24.28 65.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -117.94 13.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -77.4 -24.19 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -132.48 157.71 43.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -47.05 161.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.07 2.75 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -129.07 -57.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' GLU . 16.2 p -100.67 9.56 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 8.3 mt-10 37.34 38.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.77 173.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -100.81 103.88 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.9 63.24 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 81.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -46.06 167.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.4 148.38 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -109.92 106.82 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 51.5 p-90 -68.1 -53.93 21.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 5.7 t30 -35.04 -45.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.574 HD13 ' CD1' ' A' ' 122' ' ' TYR . 79.0 mt -90.43 -45.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 49' ' ' VAL . . . 102.08 46.81 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.416 HG13 ' C ' ' A' ' 48' ' ' GLY . 35.9 m -152.02 150.36 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.55 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 88.4 m-85 -92.63 122.27 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.85 157.56 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.68 173.04 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 54' ' ' ARG . 8.6 tt -61.59 -49.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.446 ' N ' HG22 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.61 -59.7 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.3 m -56.15 -45.06 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . . . -46.64 -54.1 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.82 -51.9 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.505 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 5.1 mp -61.14 -38.6 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.84 -35.62 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -62.4 -46.94 86.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.7 -48.35 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 18.5 mt -32.92 -49.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.89 142.89 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 m -56.93 -15.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.505 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -88.51 -38.94 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.505 HG13 ' CD2' ' A' ' 65' ' ' HIS . 20.1 mt -76.15 -49.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -166.1 142.62 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -113.15 150.51 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.427 ' CG1' ' HB2' ' A' ' 56' ' ' ALA . 41.1 t -124.58 137.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -159.1 139.73 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 14.3 m -54.16 152.7 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG1' HD13 ' A' ' 20' ' ' LEU . 2.7 t -81.33 -51.71 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -95.25 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 56.2 mt -42.42 -42.03 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.3 159.96 14.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -93.76 156.67 16.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 19.0 m95 -130.19 173.69 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' ALA . 22.7 p -136.67 144.99 44.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.82 -45.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -48.59 -53.85 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.462 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.6 mp0 -72.25 -48.21 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.49 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 14.2 mm -44.95 -53.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -51.68 -43.27 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 30.5 t -53.37 -57.78 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.55 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 87.6 mmm -35.38 -53.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 7.0 mp0 -68.66 -50.13 53.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -43.6 -46.07 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.5 tpt -94.34 -73.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.76 156.72 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.4 m120 -53.29 -52.02 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASN . 31.3 m -33.25 -63.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -64.17 -50.71 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.96 -33.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -76.41 -48.56 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.58 -6.8 16.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 128' ' ' TYR . 0.6 OUTLIER -110.85 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 122' ' ' TYR . 77.3 m-85 -73.93 -48.0 33.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -86.94 36.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.11 -34.85 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -95.91 23.05 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.79 36.33 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -101.83 -40.16 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.7 p -76.28 138.24 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -54.59 -44.26 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -43.81 -49.94 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.4 t -39.93 -58.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.69 -53.41 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 119' ' ' ARG . 18.3 m-85 -67.88 -58.46 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 11.8 t80 -36.61 -50.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.19 -40.77 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.6 mtp-105 -65.38 -59.06 4.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.415 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 7.6 m-20 -64.3 -17.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 43.2 tttt -85.43 -44.49 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.574 ' CD1' HD13 ' A' ' 47' ' ' ILE . 72.3 m-85 -99.98 -53.38 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 119' ' ' ARG . 6.0 tt0 -57.78 -60.97 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.1 mmmt -76.25 -17.61 59.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.522 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 27.7 mmtm 57.78 27.95 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -47.76 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.3 m-85 -83.27 37.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.522 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 34.6 t80 -96.73 121.55 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.481 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 4.5 m-70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.4 mm-40 -37.48 -51.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ILE . 2.4 tt -57.25 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 22' ' ' LYS . 24.1 mt -35.43 -63.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.8 mt -35.84 -46.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 t -63.89 -42.57 97.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' ILE . 14.8 mttm -57.44 -35.22 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.83 -50.37 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 50' ' ' PHE . 40.6 mt -54.59 -46.42 73.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.417 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 53.8 mtp180 -45.63 -39.27 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -58.82 130.85 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -47.84 -28.73 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -65.77 -36.7 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 1.5 m-20 -115.18 29.51 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 23.6 mttp -84.01 -33.83 24.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.3 m-85 -123.87 157.94 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.7 t -43.62 161.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.08 0.35 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.7 -56.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 p -100.76 5.06 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 7.9 pt-20 40.58 42.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 165.32 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -92.08 105.46 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.43 60.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.8 Cg_endo -69.75 84.27 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -58.69 -75.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.449 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 72.8 m95 -46.2 164.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.83 121.49 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -79.77 97.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 46' ' ' ASN . 61.6 p-90 -61.1 -50.65 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.664 ' N ' ' CE3' ' A' ' 45' ' ' TRP . 4.3 t30 -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.14 -47.91 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.79 44.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG13 ' CB ' ' A' ' 93' ' ' ALA . 35.7 m -154.46 164.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.515 ' CG ' HD22 ' A' ' 24' ' ' LEU . 97.4 m-85 -100.34 125.13 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.17 155.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.4 170.28 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' HB ' ' CD1' ' A' ' 42' ' ' TRP . 8.7 tt -64.22 -34.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HD2' ' C ' ' A' ' 54' ' ' ARG . 6.3 tmm_? -60.67 -53.06 62.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.42 -46.69 82.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -42.95 -47.29 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.41 75.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.503 ' CG2' ' OE2' ' A' ' 115' ' ' GLU . 4.5 mp -71.82 -32.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -59.84 -45.6 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.1 mtp-105 -48.71 -48.84 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.6 m-80 -49.06 -51.02 33.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 18.9 mt -34.69 -53.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.15 139.95 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -49.51 -29.96 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.2 p-80 -70.97 -33.91 70.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 65' ' ' HIS . 13.9 mt -84.54 -45.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -165.5 145.81 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HB2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mtt180 -121.63 91.72 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.25 128.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.544 ' HD2' ' CD1' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -152.35 142.4 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 58.2 m -54.1 174.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -109.03 -48.46 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.69 -36.25 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.46 -31.12 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -98.53 158.33 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.28 137.33 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 11.6 m0 -120.45 178.12 4.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 p -148.56 160.21 43.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.89 -43.33 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.82 -62.37 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -62.88 -45.16 93.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.2 mm -50.87 -61.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -45.53 -44.62 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.95 -59.14 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.8 mmm -40.15 -50.53 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -67.68 -45.23 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.45 -61.88 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -82.39 -72.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.64 171.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.22 -41.76 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.0 m -40.22 -71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.5 -46.49 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.471 ' CB ' HG13 ' A' ' 49' ' ' VAL . . . -42.31 -38.91 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -69.64 -46.31 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.29 -10.31 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -104.41 -68.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 97.2 m-85 -71.87 -46.02 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -92.12 36.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.26 -37.15 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.66 17.19 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.511 HD21 ' CD2' ' A' ' 127' ' ' TYR . 24.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.25 19.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -91.43 -39.79 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.6 p -82.33 131.82 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -46.07 -48.36 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.7 OUTLIER -37.32 -44.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -80.16 -61.03 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 113' ' ' ALA . 54.7 t -33.83 -61.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.503 ' OE2' ' CG2' ' A' ' 58' ' ' ILE . 3.8 tp10 -40.86 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ARG . 28.3 m-85 -68.59 -58.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.9 t80 -36.82 -48.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.34 -40.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.434 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 55.3 mtt180 -63.09 -57.18 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -22.06 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 19.2 tttp -76.65 -48.23 19.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.675 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 50.4 m-85 -99.44 -68.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -39.88 -59.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -77.35 -20.19 55.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.53 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 44.7 mmtm 62.9 25.25 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -44.12 -68.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.511 ' CD2' HD21 ' A' ' 101' ' ' LEU . 4.7 m-85 -83.56 34.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.57 ' CE1' HD11 ' A' ' 96' ' ' LEU . 62.8 t80 -89.65 122.14 32.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' GLN . 16.4 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.707 0.289 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' HIS . 12.5 mm100 -33.07 -66.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -43.23 -52.47 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.0 mt -48.17 -65.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.02 -49.37 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 t -62.66 -38.42 90.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -60.56 -40.2 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.1 mt -62.94 -50.64 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.52 HD23 ' CG ' ' A' ' 50' ' ' PHE . 70.7 mt -51.37 -46.07 62.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -44.06 -40.83 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.24 131.13 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -46.51 -32.57 3.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.32 -37.9 82.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -114.37 25.24 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 43.6 mttt -81.75 -30.31 32.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.47 166.51 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.0 t -57.92 166.47 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.43 -6.46 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.49 -50.39 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLU . 18.0 p -110.82 11.76 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.446 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.7 mm-40 35.39 36.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.05 161.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -91.08 106.54 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.85 58.82 1.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.1 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.325 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.9 tpp85 -58.18 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' ARG . 62.6 m95 -44.08 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.98 135.33 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.051 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -91.63 109.91 21.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.455 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 48.6 p-90 -68.78 -55.63 10.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.1 p30 -37.81 -46.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 95.7 mt -83.03 -47.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.22 40.49 2.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 34.6 m -145.33 159.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.52 ' CG ' HD23 ' A' ' 24' ' ' LEU . 96.6 m-85 -98.22 122.53 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -124.47 160.35 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.3 175.65 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.9 tt -65.38 -43.01 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.472 ' CZ ' HG22 ' A' ' 114' ' ' VAL . 7.1 tmm_? -54.54 -60.49 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 61.7 m -55.46 -48.18 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.88 -49.9 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.29 12.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 mp -66.9 -46.34 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -45.56 -50.12 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -48.22 -47.78 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' LEU . 10.0 m-20 -54.14 -52.32 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 61' ' ' ASN . 38.3 mt -32.13 -54.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 139.66 3.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 m -52.88 -31.14 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.4 p-80 -71.19 -35.94 71.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 65' ' ' HIS . 45.9 mt -79.46 -60.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 t -158.36 133.61 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -100.99 167.46 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.3 t -138.57 132.99 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -156.92 145.45 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.2 m -54.94 158.56 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.5 t -88.48 -45.67 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -105.71 -48.19 3.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.7 mt -49.18 -42.47 40.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.18 168.62 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -91.66 165.58 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.447 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 26.8 m95 -142.9 -179.89 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -149.32 149.3 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.98 -49.36 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -45.28 -43.54 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -82.11 -47.05 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 38.2 mm -52.31 -59.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.421 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 7.1 tp60 -46.19 -42.3 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.6 m -59.89 -52.3 66.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.43 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 79.0 mmm -39.03 -46.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -75.22 -46.96 30.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -49.16 -44.57 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.0 tpt -95.47 -72.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.11 178.98 5.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.93 -40.68 65.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.6 m -40.43 -65.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 93' ' ' ALA . 57.9 mttm -63.64 -50.46 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -37.1 -41.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.16 -47.6 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.2 mt -65.87 -10.47 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.6 tm? -105.46 -64.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 127' ' ' TYR . 96.1 m-85 -75.61 -47.16 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -84.53 30.52 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.67 -41.08 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -82.48 16.15 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' A' ' 127' ' ' TYR . 20.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.87 -40.39 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.8 p -88.65 156.12 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -59.25 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 12.3 pt20 -35.71 -40.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -85.32 -59.56 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.472 HG22 ' CZ ' ' A' ' 54' ' ' ARG . 95.5 t -41.82 -52.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -44.27 -52.6 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.21 -49.09 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 39.1 t80 -41.46 -51.78 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.2 mt -69.21 -38.04 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -71.93 -6.76 44.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -119.99 -23.55 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.574 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 25.0 ttpt -84.45 -47.11 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 56.6 m-85 -95.97 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.02 -62.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 30.3 mtpp -73.85 -23.42 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 41.9 mmtt 65.18 27.23 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -47.1 -64.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.564 ' CD2' HD22 ' A' ' 101' ' ' LEU . 4.3 m-85 -88.38 37.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 57.0 t80 -96.66 118.01 32.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.493 ' CG ' HG13 ' A' ' 82' ' ' ILE . 27.2 m170 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.784 0.326 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -41.12 -54.58 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.31 -53.63 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.7 mt -43.96 -64.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 72' ' ' VAL . 15.2 mt -38.56 -45.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -63.47 -46.57 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -39.77 58.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.1 -53.87 46.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.81 -40.72 56.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -49.69 -40.35 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.69 138.05 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -52.03 -35.42 46.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.41 -29.04 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.5 29.76 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -85.52 -20.62 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.14 158.95 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.38 160.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.65 3.9 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -130.4 -56.25 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.0 p -99.53 9.72 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 40.12 34.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.71 147.81 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -83.76 111.93 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 40' ' ' PRO . . . 93.03 54.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.496 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 39' ' ' GLY . 53.9 Cg_endo -69.76 79.85 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -55.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -43.85 167.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.66 149.28 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -106.93 110.19 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 31.8 p-90 -70.14 -57.19 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' TRP . 9.9 t30 -35.0 -47.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.561 HD13 ' CE2' ' A' ' 122' ' ' TYR . 82.1 mt -85.08 -48.63 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.4 39.94 2.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.411 HG13 ' CB ' ' A' ' 93' ' ' ALA . 34.0 m -141.14 148.91 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.547 ' CZ ' ' HE1' ' A' ' 85' ' ' MET . 98.5 m-85 -91.85 124.86 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.4 pt -128.72 159.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.94 -174.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.65 -20.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -75.03 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 85.8 m -55.49 -42.47 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.37 -51.38 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.87 -41.9 21.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.59 -29.39 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -67.29 -49.5 64.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 6.5 mtp-105 -51.88 -40.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -57.57 -50.66 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.402 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 31.9 mt -38.05 -59.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.406 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 142.9 133.19 2.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -44.8 -30.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.584 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.8 p-80 -73.17 -35.65 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.584 HG13 ' CD2' ' A' ' 65' ' ' HIS . 74.7 mt -78.21 -52.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -156.06 132.31 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -100.05 129.14 46.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.3 t -110.33 139.64 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.578 ' HE2' ' CD1' ' A' ' 45' ' ' TRP . 20.8 pttt -172.53 130.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t -44.28 164.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 20' ' ' LEU . 2.5 t -88.52 -46.92 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -95.82 -65.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.4 mt -38.61 -33.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -101.35 163.07 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' C ' ' CD1' ' A' ' 77' ' ' TRP . 21.9 pt20 -88.41 159.05 18.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.519 ' CE2' ' HE3' ' A' ' 70' ' ' LYS . 32.4 m95 -145.1 149.79 35.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -124.79 157.02 36.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.23 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -47.04 -47.67 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.71 -41.74 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.493 HG13 ' CG ' ' A' ' 16' ' ' HIS . 31.5 mm -53.89 -59.67 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -43.08 -48.98 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.7 m -50.37 -58.65 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.547 ' HE1' ' CZ ' ' A' ' 50' ' ' PHE . 90.2 mmm -37.81 -51.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -69.57 -50.33 45.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -47.63 -60.36 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.5 tpt -78.05 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.18 171.68 4.12 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.05 -37.31 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.1 m -45.43 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -59.34 -44.57 92.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.411 ' CB ' HG13 ' A' ' 49' ' ' VAL . . . -44.12 -41.19 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -74.68 -38.61 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.29 -2.75 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.407 HD12 ' CE1' ' A' ' 128' ' ' TYR . 1.2 tm? -114.3 -68.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.627 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 92.5 m-85 -68.97 -53.55 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 40.5 mt-10 -88.05 37.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.71 -35.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.01 18.72 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.46 ' CD1' ' HB3' ' A' ' 98' ' ' GLU . 49.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . 0.401 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 7.8 ttm105 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 142.32 47.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -104.16 -35.95 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -88.33 146.36 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.85 -40.93 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -40.42 -35.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.42 -52.01 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 115' ' ' GLU . 90.7 t -44.94 -61.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' VAL . 6.4 tm-20 -38.05 -55.51 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -62.0 -55.06 33.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 38.7 t80 -41.2 -51.44 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.89 -39.84 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 49.9 mtt-85 -62.33 -57.73 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.66 -8.15 53.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.556 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 23.2 tttt -85.98 -39.56 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.627 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 78.1 m-85 -110.8 -49.14 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.9 tm-20 -58.6 -56.16 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -80.09 -20.39 45.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 34.8 mmtm 60.52 29.7 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.59 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -64.33 -21.03 66.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 44.1 t80 -47.31 124.73 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.6 m-70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' HIS . 1.9 mp0 -33.51 -64.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ILE . 11.3 tp -44.32 -67.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' LEU . 34.1 mt -33.98 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.439 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 12.1 mt -42.2 -45.28 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' LEU . 26.9 t -64.99 -42.43 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -31.3 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.1 -48.56 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.7 mt -50.87 -40.59 56.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -48.07 -48.07 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.39 139.53 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.91 -13.11 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -18.17 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -123.8 16.96 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -78.56 -23.61 46.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.92 167.63 17.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 23.2 t -58.69 164.34 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.13 -1.04 52.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.24 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.26 -2.56 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 4.9 mp0 49.42 35.17 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.03 160.89 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -91.32 117.4 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.07 56.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 82.67 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.465 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 12.6 tpp180 -62.7 -75.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -48.08 167.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 138.34 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.51 111.75 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 24.3 p-90 -75.01 -53.24 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -37.24 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.458 HG13 ' ND2' ' A' ' 46' ' ' ASN . 89.5 mt -106.37 -44.2 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.92 49.98 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 93' ' ' ALA . 9.4 m -150.62 141.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -87.67 122.61 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.3 pt -124.69 157.44 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -73.34 -175.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 54' ' ' ARG . 5.2 tt -74.22 -41.84 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' N ' HG22 ' A' ' 53' ' ' ILE . 7.8 tmm_? -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 94.5 m -50.56 -50.08 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -41.54 -47.91 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.61 -37.6 34.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.2 mp -73.56 -33.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.64 -37.4 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.15 -48.15 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -53.77 -48.59 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.501 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 16.0 mt -37.41 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.84 143.94 4.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.19 -15.76 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -89.95 -14.54 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.1 mt -102.95 -51.79 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.465 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 31.8 m -158.82 121.15 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.01 140.06 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.92 133.69 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.51 141.71 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 67.3 m -60.63 142.8 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 1.5 t -66.82 -34.48 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ASP . 6.7 t30 -117.95 -63.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 22.6 mt -38.19 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 73' ' ' ASN . 4.2 m-20 -111.05 161.23 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.31 147.85 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.439 ' CZ3' HD23 ' A' ' 20' ' ' LEU . 11.0 m95 -125.49 -174.97 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 p -148.68 143.96 26.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.26 -52.19 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.51 -38.09 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.558 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 90.8 mt-30 -78.05 -40.42 38.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.3 mm -55.68 -57.34 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -41.22 -48.11 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' MET . 94.2 m -52.01 -57.73 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 81.3 mmm -36.85 -57.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -60.28 -51.93 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 tpt -72.07 -73.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.34 168.45 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.38 -42.55 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.4 m -42.03 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' ALA . 43.5 mtpt -60.21 -48.37 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . . . -37.44 -37.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.81 -47.85 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.11 -7.0 31.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.02 -61.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -76.21 -38.81 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -100.12 37.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.63 -27.49 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -97.08 16.4 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.428 HD22 ' CD2' ' A' ' 127' ' ' TYR . 43.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.621 0.725 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.09 64.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -119.22 -37.17 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.76 134.2 39.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.2 m-20 -46.67 -59.48 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.2 pt20 -35.3 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -92.94 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' ALA . 77.7 t -36.11 -58.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -38.8 -49.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 119' ' ' ARG . 24.5 m-85 -66.12 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 31.5 t80 -37.3 -45.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.3 mt -68.63 -36.39 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 116' ' ' PHE . 7.7 mtp-105 -69.35 -44.8 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 4.9 m-20 -72.78 -13.26 61.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.545 ' HE3' ' CE1' ' A' ' 117' ' ' PHE . 18.9 ttmt -105.63 -22.25 13.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -117.95 -47.29 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 2.9 tt0 -65.11 -69.48 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.475 ' CD ' ' HE2' ' A' ' 126' ' ' LYS . 41.8 mttm -74.61 -25.68 59.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp 63.87 44.15 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . 0.475 ' HE2' ' CD ' ' A' ' 124' ' ' LYS . 17.8 mtmt -68.26 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.428 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.2 m-85 -76.67 4.74 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -73.32 121.42 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.871 179.924 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 17' ' ' GLN . 10.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.737 0.304 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 16' ' ' HIS . 36.6 mm-40 -32.16 -55.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' ILE . 4.9 tt -56.73 -64.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 18' ' ' LEU . 80.5 mt -33.13 -64.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' ILE . 28.5 mt -34.24 -57.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.9 t -62.03 -40.01 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' ILE . 4.1 ttmm -55.75 -44.01 77.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 mt -58.67 -49.94 75.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.7 mt -50.67 -44.71 57.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -42.87 -41.76 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -60.43 135.96 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -49.35 -35.49 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.39 -38.41 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -113.84 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.95 -26.84 28.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 1.8 m-85 -130.17 158.42 39.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.8 t -51.41 165.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.72 -6.85 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -117.9 -60.25 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.0 p -99.77 8.94 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.443 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 9.0 mm-40 40.01 35.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.99 139.91 57.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -68.52 126.61 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.73 59.87 3.35 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.2 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.8 -72.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.477 ' NE1' HG12 ' A' ' 53' ' ' ILE . 52.7 m95 -43.3 162.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.436 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . . . -166.54 121.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -83.83 110.99 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD2' ' N ' ' A' ' 46' ' ' ASN . 70.0 p-90 -69.36 -46.56 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 45.4 t30 -43.73 -47.12 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.07 -48.97 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 38.88 2.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 93' ' ' ALA . 34.5 m -140.19 153.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 89.2 m-85 -96.98 120.76 37.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.4 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 33.2 pt -122.69 168.15 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.35 -174.33 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.477 HG12 ' NE1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.39 -39.2 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -59.87 -67.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 90.2 m -46.89 -50.67 18.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -42.8 -49.54 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.33 -43.87 34.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.1 mp -68.07 -44.43 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.078 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -48.27 -50.42 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -47.44 -49.87 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 62' ' ' LEU . 51.8 m-20 -52.02 -52.1 53.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 61' ' ' ASN . 32.0 mt -34.17 -55.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.36 132.49 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -43.18 -45.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 66' ' ' ILE . 16.6 p-80 -58.51 -40.08 81.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 65' ' ' HIS . 12.2 mt -74.34 -54.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t -151.76 130.33 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -113.17 73.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.433 ' CG1' ' CE3' ' A' ' 42' ' ' TRP . 85.9 t -41.37 131.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -145.39 131.52 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -57.61 152.72 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 4.0 t -85.13 -40.79 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.85 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -41.23 -36.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 157.43 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -96.53 154.68 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -123.41 -175.07 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -146.15 148.86 33.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -49.57 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.89 -47.66 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.32 -41.55 66.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.506 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 21.6 mm -50.45 -60.3 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -42.9 -42.17 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.3 t -57.61 -51.54 69.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 79.6 mmm -44.06 -56.35 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 6.0 mp0 -63.07 -43.97 97.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -51.51 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -74.72 -69.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.23 174.26 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -68.05 -43.84 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.1 m -38.63 -67.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -60.36 -51.46 69.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -41.16 -39.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.37 -44.33 65.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.55 -8.57 52.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 128' ' ' TYR . 0.9 OUTLIER -106.88 -64.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.509 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 87.7 m-85 -73.78 -45.46 51.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.41 ' HG2' ' CD1' ' A' ' 101' ' ' LEU . 23.2 mt-10 -88.6 35.42 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.31 -44.15 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -83.35 19.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 127' ' ' TYR . 25.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 145.02 56.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.17 -41.81 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t -102.99 157.15 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.5 m-20 -50.82 -43.26 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 25.0 tt0 -38.17 -34.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -106.42 -50.84 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 115' ' ' GLU . 93.2 t -46.8 -64.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 114' ' ' VAL . 30.2 tt0 -35.09 -54.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -64.48 -52.34 58.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 28.8 t80 -41.6 -49.25 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.22 -35.8 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -70.85 -8.87 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.64 -17.39 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 74.7 tttt -82.65 -47.15 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.509 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 68.1 m-85 -98.2 -55.17 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -64.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -70.46 -22.17 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.8 mmtm 62.77 29.83 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -52.24 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.517 ' CD2' HD23 ' A' ' 101' ' ' LEU . 2.2 m-85 -87.17 39.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 96' ' ' LEU . 67.2 t80 -97.6 118.65 34.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.49 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.8 m170 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.711 0.291 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 16' ' ' HIS . 17.1 mm100 -30.78 -46.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -50.87 61.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' HIS . 57.9 mt -49.95 -54.74 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.17 -44.37 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -66.27 -42.87 87.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -50.87 -47.67 60.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -54.61 -49.34 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.52 -26.56 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -92.85 -3.11 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -89.43 29.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 42.16 38.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -123.83 -44.96 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -112.08 30.57 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -68.17 -17.27 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -138.17 149.08 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.8 t -41.77 147.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.22 8.06 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -134.96 -65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLU . 17.6 p -92.61 11.1 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' CYS . 45.1 mm-40 35.0 47.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.89 160.08 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -89.03 102.83 15.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.19 58.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 81.19 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -73.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -50.51 167.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.28 140.25 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 106.25 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 27.8 p-90 -65.25 -56.16 14.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -33.7 -39.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.555 HD12 ' CE2' ' A' ' 122' ' ' TYR . 68.0 mt -94.99 -40.72 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' GLY . . . 97.28 31.46 6.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.417 ' CG1' ' HB1' ' A' ' 93' ' ' ALA . 16.8 m -136.99 146.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -87.33 133.4 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.2 169.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.2 p -85.5 179.01 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 tt -70.77 -35.01 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.2 tmm_? -59.57 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.5 m -53.43 -45.23 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.449 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -44.31 -52.15 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.33 -38.88 34.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -73.11 -38.63 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.17 -49.49 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -48.94 -47.66 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 75.2 m-20 -48.52 -49.77 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ASN . 24.2 mt -37.52 -54.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.76 143.73 4.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.11 -13.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -91.56 -28.38 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.4 mt -89.1 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 6.9 p -164.27 132.69 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -109.77 127.27 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.449 HG11 ' CB ' ' A' ' 56' ' ' ALA . 61.8 t -99.2 140.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.05 143.32 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -53.87 163.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.7 -42.08 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -102.69 -56.43 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 76.5 mt -44.33 -38.3 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.76 163.5 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -96.46 142.42 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 16.6 m95 -126.24 163.81 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 p -125.97 140.52 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -37.73 -46.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -52.17 -50.24 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.493 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 8.4 mm-40 -67.62 -38.96 84.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.7 mm -50.77 -55.38 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 6.2 tp60 -38.76 -53.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 85.2 m -47.41 -58.88 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' CYS . 82.4 mmm -36.66 -44.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -78.3 -47.73 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.11 -28.96 28.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.1 tpt -108.03 -75.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 53.94 170.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -61.84 -42.22 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.9 m -40.34 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -59.51 -47.71 84.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.417 ' HB1' ' CG1' ' A' ' 49' ' ' VAL . . . -38.64 -48.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . 0.405 ' HG3' ' CD ' ' A' ' 98' ' ' GLU . 19.5 ttm180 -66.72 -40.14 88.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.25 -1.84 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.587 HD11 ' CE1' ' A' ' 128' ' ' TYR . 1.3 tm? -114.9 -69.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -70.37 -48.48 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.405 ' CD ' ' HG3' ' A' ' 94' ' ' ARG . 4.2 tt0 -83.22 35.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.52 -37.55 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . 0.401 ' CB ' ' HA ' ' A' ' 127' ' ' TYR . 39.8 m-20 -88.57 21.0 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 127' ' ' TYR . 16.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.538 0.685 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.91 34.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -102.28 -38.72 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.5 p -86.32 152.77 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.88 -45.81 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -39.0 -35.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -93.68 -65.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' ALA . 74.5 t -34.98 -54.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -43.05 -48.26 6.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -75.31 -51.71 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 78.7 t80 -42.55 -45.76 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 88.5 mt -69.95 -38.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 123' ' ' GLU . 34.9 mtp85 -65.47 -59.71 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -11.33 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -89.78 -43.38 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.555 ' CE2' HD12 ' A' ' 47' ' ' ILE . 64.0 m-85 -104.29 -47.22 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 8.8 tt0 -62.36 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.69 -21.54 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt 59.18 37.92 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -62.63 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.571 ' CD2' HD21 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -84.32 36.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.587 ' CE1' HD11 ' A' ' 96' ' ' LEU . 50.7 t80 -99.08 118.21 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . 0.405 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 13.6 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' GLN . 21.8 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' HIS . 35.5 mm-40 -33.84 -48.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.4 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 10.2 tp -64.73 -48.78 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 16' ' ' HIS . 78.5 mt -45.57 -47.48 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.22 -47.01 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -59.79 -44.12 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 1.5 mptm? -49.02 -47.84 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 35.6 mt -55.7 -55.8 28.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 50' ' ' PHE . 96.7 mt -47.87 -46.18 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . 0.465 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 4.8 mmm180 -41.67 -47.22 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.77 144.39 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.71 -16.59 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -125.45 15.22 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.42 -23.85 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.404 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 3.8 m-85 -136.47 161.41 35.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 t -46.07 162.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.56 5.83 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.27 -49.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' GLU . 16.9 p -108.97 11.73 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' CYS . 18.1 pt-20 36.58 39.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 156.41 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -88.4 108.37 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.29 60.32 0.96 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.81 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 13.1 tpp180 -58.63 -75.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 78.8 m95 -48.04 170.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.536 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . . . -168.2 119.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -78.85 113.04 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 46.4 p-90 -74.96 -52.09 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -43.03 -36.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 122' ' ' TYR . 97.9 mt -90.25 -46.49 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 41.43 2.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.454 HG11 ' CB ' ' A' ' 93' ' ' ALA . 27.9 m -150.35 157.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 43' ' ' ALA . 90.1 m-85 -95.9 124.8 40.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 pt -128.84 155.71 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -73.04 -174.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.27 -32.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -64.98 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.7 m -45.13 -46.41 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.444 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . . . -49.76 -53.51 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.83 -25.68 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.487 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.4 mp -90.01 -35.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.096 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -62.36 -34.29 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.62 -47.36 81.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.33 -48.3 74.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 38.5 mt -33.35 -51.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 139.12 127.74 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -41.6 -39.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.517 ' CD2' HG13 ' A' ' 66' ' ' ILE . 26.6 p-80 -70.05 -34.1 72.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.517 HG13 ' CD2' ' A' ' 65' ' ' HIS . 74.2 mt -76.54 -54.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.415 ' HA ' ' CG ' ' A' ' 46' ' ' ASN . 5.2 m -156.11 135.58 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -110.61 138.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 56' ' ' ALA . 59.1 t -113.11 136.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -162.93 131.22 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.5 m -46.62 166.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.96 -36.67 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -110.01 -50.37 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 50.3 mt -50.52 -26.65 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -115.43 167.69 10.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.2 151.27 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 14.0 m95 -125.86 177.39 6.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 65.1 p -136.5 139.34 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.07 -44.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.48 -61.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.48 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 52.7 mt-30 -65.62 -41.96 92.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.1 mm -47.91 -59.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -47.02 -28.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.64 -45.09 76.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 93.6 mmm -52.59 -47.29 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 23' ' ' LEU . 3.4 mp0 -70.03 -46.81 64.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -61.32 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -73.68 -72.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 164.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -60.14 -37.33 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.7 m -42.97 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -57.63 -47.37 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.454 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -39.26 -41.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -72.5 -42.99 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.82 -7.99 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.519 HD13 ' CE1' ' A' ' 128' ' ' TYR . 0.8 OUTLIER -110.16 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 85.3 m-85 -70.32 -49.56 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -85.03 34.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.15 -34.31 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -95.51 20.49 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.444 HD23 ' CD2' ' A' ' 127' ' ' TYR . 20.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -75.04 -22.39 58.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.3 p -83.94 125.79 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -47.93 63.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -50.68 -39.3 50.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -47.78 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.0 t -46.6 -62.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -41.95 -57.62 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' ARG . 15.8 m-85 -55.08 -56.46 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 36.0 t80 -34.18 -60.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.3 mt -60.72 -35.14 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' PHE . 26.0 mmm-85 -60.89 -21.22 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.1 m-20 -118.93 -7.03 10.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 122' ' ' TYR . 13.4 ttpt -89.04 -31.92 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 50.5 m-85 -113.84 -52.29 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.35 -63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 17.7 mmmt -71.45 -19.44 62.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.506 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 31.0 mmtp 56.14 29.6 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -51.54 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.444 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -82.81 37.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.519 ' CE1' HD13 ' A' ' 96' ' ' LEU . 47.9 t80 -99.09 121.85 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.507 ' CG ' HG13 ' A' ' 82' ' ' ILE . 5.5 m170 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.766 0.317 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' HIS . 6.8 mp0 -34.23 -51.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -51.05 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 82.1 mt -50.69 -63.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -43.21 -38.71 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.6 m -72.49 -43.13 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -56.91 -37.04 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.84 -52.55 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.7 mt -52.22 -49.78 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -43.52 -37.81 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.67 136.44 57.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -51.65 -36.08 44.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.18 -24.81 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -121.91 32.87 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 37.9 mmtt -85.23 -29.45 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -130.12 172.24 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.477 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.2 t -61.04 167.02 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.88 -8.77 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -116.45 -53.17 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' GLU . 16.9 p -107.22 9.7 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mt-10 35.99 43.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 163.41 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -89.18 112.98 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 62.78 1.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 80.18 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -58.85 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.461 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.5 m95 -44.57 167.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.52 135.47 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.11 95.73 9.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.569 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 22.0 p-90 -59.76 -50.41 73.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -35.98 -48.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.81 -48.76 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.84 36.54 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.417 HG12 ' CB ' ' A' ' 93' ' ' ALA . 35.7 m -139.72 152.89 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 96.2 m-85 -92.7 124.77 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 pt -128.96 161.98 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -79.57 174.87 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 42' ' ' TRP . 5.9 tp -66.03 -41.43 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.487 ' O ' ' CD1' ' A' ' 58' ' ' ILE . 7.8 tmm_? -54.64 -56.76 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.4 m -61.11 -44.15 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.05 -49.86 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.88 -39.51 32.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.502 HG12 ' CG ' ' A' ' 115' ' ' GLU . 5.2 mp -71.52 -43.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -49.22 -51.24 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -45.56 -50.46 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 58' ' ' ILE . 4.0 m-20 -51.51 -50.65 59.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' ASN . 30.8 mt -35.07 -52.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.92 134.12 3.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -47.23 -30.87 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.8 p-80 -72.3 -31.4 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' ' 65' ' ' HIS . 27.5 mt -85.11 -53.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 p -152.19 140.33 20.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.53 115.18 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -89.94 138.89 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 10.4 ptmm? -166.41 134.57 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 42.3 m -48.75 149.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -74.18 -57.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.66 -60.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 62.6 mt -39.13 -43.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.1 156.08 19.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.43 142.1 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.4 m95 -127.74 157.69 39.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ALA . 70.5 p -123.37 144.64 49.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -35.37 -43.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -49.33 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' ' CD2' ' A' ' 45' ' ' TRP . 60.9 mt-30 -61.05 -47.69 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . 0.507 HG13 ' CG ' ' A' ' 16' ' ' HIS . 33.2 mm -43.35 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -47.76 -42.16 24.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 85' ' ' MET . 21.6 t -52.03 -59.71 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' MET . . . . . 0.561 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 86.0 mmm -34.53 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 3.2 mp0 -65.64 -50.63 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.82 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 tpt -81.99 -70.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.19 171.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.97 -42.98 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.7 m -38.86 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -63.92 -45.32 89.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.417 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -42.13 -40.33 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.09 -18.02 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.435 ' C ' HD11 ' A' ' 96' ' ' LEU . 1.1 tm? -98.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.62 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 83.8 m-85 -69.94 -51.61 31.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.414 ' OE1' ' NZ ' ' A' ' 121' ' ' LYS . 5.1 mm-40 -84.62 35.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.12 -47.11 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -86.45 21.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.409 HD11 ' CD ' ' A' ' 98' ' ' GLU . 16.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 127.4 14.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -90.42 -40.35 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.479 ' HB ' ' NE2' ' A' ' 112' ' ' GLN . 24.4 p -68.53 140.0 55.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' ALA . 2.9 m-20 -59.95 -63.53 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.479 ' NE2' ' HB ' ' A' ' 110' ' ' THR . 7.3 pm0 -37.24 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -85.57 -50.47 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.2 t -48.53 -57.01 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . 0.502 ' CG ' HG12 ' A' ' 58' ' ' ILE . 10.7 mt-10 -40.39 -49.08 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' PHE . 23.4 m-85 -68.45 -62.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 9.1 t80 -33.82 -47.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.62 -45.45 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 123' ' ' GLU . 41.0 mtt180 -58.38 -58.16 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.33 -19.01 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 117' ' ' PHE . 7.5 ttmt -80.92 -46.28 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.62 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 95.8 m-85 -100.67 -52.69 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 5.7 tt0 -54.28 -64.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -76.81 -19.99 56.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 62.93 34.23 14.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.85 -64.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.61 37.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -99.98 120.7 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 19' ' ' ILE . 15.9 m-70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.712 0.291 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 16' ' ' HIS . 17.1 mp0 -30.63 -47.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -51.19 70.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' HIS . 19.0 mt -57.78 -50.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.2 mt -46.31 -39.59 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -66.66 -47.65 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -36.88 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.5 mt -64.59 -50.08 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 50' ' ' PHE . 84.9 mt -56.95 -46.0 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -42.95 -39.36 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.2 135.72 55.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 10.2 tt0 -53.39 -31.34 44.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.96 -28.88 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -121.37 27.09 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 23.4 mmtt -80.32 -28.33 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 30' ' ' LYS . 1.8 m-85 -133.28 169.48 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' CYS . . . . . 0.452 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 20.2 t -54.15 166.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.25 -6.28 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.52 7.3 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLU . . . . . 0.453 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 3.9 pt-20 38.77 46.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 161.65 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -89.23 103.07 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.23 68.4 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 82.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -61.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CE2' HD11 ' A' ' 53' ' ' ILE . 54.6 m95 -67.72 166.86 14.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.9 141.07 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -101.24 102.66 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TRP . . . . . 0.559 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 52.9 p-90 -64.51 -53.75 43.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.503 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 7.2 t30 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -88.06 -39.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . 0.409 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 94.94 47.97 2.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' ' 93' ' ' ALA . 24.1 m -155.96 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 24' ' ' LEU . 88.8 m-85 -97.25 126.3 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.78 170.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.83 172.0 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.491 HD11 ' CE2' ' A' ' 42' ' ' TRP . 3.0 tp -63.98 -34.65 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -60.41 -63.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' CYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.4 m -55.6 -36.93 67.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB3' ' CG1' ' A' ' 69' ' ' VAL . . . -50.99 -50.67 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.02 -41.34 14.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.38 -42.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 111.129 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -52.33 -52.26 54.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtm105 -47.49 -46.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 74.0 m-20 -56.82 -50.59 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 41.4 mt -34.94 -57.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.48 134.0 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.2 -34.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' HIS . . . . . 0.557 ' CD2' HG13 ' A' ' 66' ' ' ILE . 27.1 p-80 -68.75 -39.19 80.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ILE . . . . . 0.557 HG13 ' CD2' ' A' ' 65' ' ' HIS . 18.0 mt -74.81 -41.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 30.3 t -169.17 140.01 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -112.89 104.11 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 56' ' ' ALA . 60.9 t -75.78 140.04 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LYS . . . . . 0.44 ' N ' HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -168.73 148.2 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 26.8 m -59.57 159.19 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.17 -43.62 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -96.74 -57.72 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 98.4 mt -42.91 -62.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.84 160.35 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -96.09 140.88 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 12.3 m95 -122.41 154.89 37.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.0 p -120.03 161.44 20.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.17 -43.2 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.67 -50.36 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' GLN . . . . . 0.559 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.5 mp0 -68.41 -50.01 55.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.7 mm -52.0 -51.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -50.65 -46.32 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.05 -52.15 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.8 mmm -43.98 -47.39 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -71.27 -50.45 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.23 -59.11 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.5 tpt -81.24 -72.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.2 174.79 3.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.45 -43.46 77.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -40.42 -66.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 95' ' ' LEU . 36.3 mttm -62.37 -49.25 76.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ALA . . . . . 0.469 ' CB ' HG13 ' A' ' 49' ' ' VAL . . . -37.32 -40.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -73.52 -40.65 63.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 92' ' ' LYS . 41.1 mt -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 128' ' ' TYR . 1.0 OUTLIER -107.28 -62.8 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 79.0 m-85 -68.69 -51.64 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.461 ' CB ' HD13 ' A' ' 101' ' ' LEU . 22.7 mt-10 -91.08 38.66 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.54 -40.21 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.96 19.51 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 127' ' ' TYR . 19.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.62 33.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -38.09 10.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' ASP . 80.5 p -76.33 121.67 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.9 OUTLIER -34.26 -53.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.8 mt-30 -35.51 -67.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.57 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 93.6 t -43.38 -53.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -49.15 -52.6 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -62.03 -45.45 93.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' PHE . . . . . 0.401 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 23.5 t80 -46.53 -56.35 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 19.4 mt -69.36 -36.01 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -71.53 -8.95 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -119.91 -16.54 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 17.6 ttpp -92.93 -39.19 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' TYR . . . . . 0.573 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 70.3 m-85 -98.89 -56.03 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.58 -68.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -64.54 -27.69 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' LYS . . . . . 0.504 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.1 mmtp 63.85 35.43 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -60.03 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' TYR . . . . . 0.536 ' CD2' HD23 ' A' ' 101' ' ' LEU . 9.6 m-85 -70.66 -17.21 62.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' TYR . . . . . 0.561 ' CE1' HD11 ' A' ' 96' ' ' LEU . 67.0 t80 -51.78 121.09 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.4 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -91.66 93.79 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.797 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -54.78 -46.99 74.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.66 -117.58 4.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m 49.72 42.44 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -137.36 108.7 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 71.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ALA . 49.3 tttp -108.55 43.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -37.88 -43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' ALA . 11.6 tt0 -34.41 -57.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -61.61 -40.17 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ALA . 2.5 mm? -80.96 43.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -72.26 149.86 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 51.77 39.97 26.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.449 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 4.5 tp-100 -122.06 94.7 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.494 ' CG ' HG13 ' A' ' 82' ' ' ILE . 24.7 m170 -69.26 -60.47 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.0 mm-40 -31.7 -42.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.449 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -71.72 -54.92 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 57.2 mt -41.59 -49.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 20.3 mt -48.87 -43.21 38.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 t -65.7 -46.07 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -49.58 -38.02 29.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.0 mt -66.95 -58.9 4.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.512 HD22 ' CD1' ' A' ' 50' ' ' PHE . 71.2 mt -47.29 -40.92 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -51.36 -42.74 61.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.76 138.59 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.09 -27.7 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.3 -32.12 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -117.53 31.9 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 24.0 mttp -90.15 -15.07 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 30' ' ' LYS . 2.8 m-85 -138.77 154.79 48.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.8 t -46.03 159.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.71 43.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.97 -68.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.9 p -86.85 -0.56 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.481 ' HB2' ' CD ' ' A' ' 107' ' ' ARG . 2.5 tp10 47.87 42.44 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.408 ' O ' ' CD2' ' A' ' 31' ' ' TYR . . . -63.04 -179.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.7 mtmt -110.55 102.48 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.88 59.46 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.495 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 11.8 tpp85 -62.71 -75.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 64.4 m95 -47.35 163.0 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -157.59 136.4 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.05 104.78 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 45.6 p-90 -69.19 -48.54 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 2.6 t30 -38.99 -37.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.45 -43.36 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.9 44.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.456 HG13 ' CB ' ' A' ' 93' ' ' ALA . 26.9 m -148.37 153.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.512 ' CD1' HD22 ' A' ' 24' ' ' LEU . 98.1 m-85 -95.55 126.07 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.35 159.63 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -75.77 -175.81 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.462 HG21 ' N ' ' A' ' 54' ' ' ARG . 6.0 tt -72.98 -48.0 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' N ' HG21 ' A' ' 53' ' ' ILE . 6.7 tmm_? -51.53 -58.09 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.406 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 91.5 m -58.34 -48.24 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.2 -46.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.36 79.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.429 HG12 ' CG ' ' A' ' 115' ' ' GLU . 10.2 mt -61.44 -47.03 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -49.24 -49.08 44.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.415 ' NH1' ' HB ' ' A' ' 69' ' ' VAL . 27.4 mtp85 -51.07 -43.44 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -55.24 -46.64 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 mt -42.82 -51.75 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.08 148.9 6.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.99 -8.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -94.51 -26.47 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 15.7 mt -92.39 -48.58 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -156.02 128.9 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -102.16 120.27 40.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.415 ' HB ' ' NH1' ' A' ' 60' ' ' ARG . 60.2 t -96.13 134.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -158.12 152.89 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.5 m -65.42 145.87 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.495 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 2.7 t -69.27 -41.11 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ASP . 35.0 t30 -116.15 -55.4 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 4.0 mp -43.73 -22.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' ASN . 28.7 t0 -112.81 165.39 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -92.62 152.06 19.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.41 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 15.6 m95 -132.45 173.88 10.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 p -139.41 148.72 43.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.54 -48.27 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -49.01 -47.37 44.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.569 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 29.3 mt-30 -74.11 -37.05 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.494 HG13 ' CG ' ' A' ' 16' ' ' HIS . 22.9 mm -55.95 -61.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.7 -38.33 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.14 -50.7 72.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -43.73 -45.3 7.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -77.92 -52.51 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -44.16 -46.13 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -96.81 -71.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 179.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -68.65 -37.2 79.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.3 m -43.26 -71.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.2 -45.52 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.456 ' CB ' HG13 ' A' ' 49' ' ' VAL . . . -41.4 -41.63 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -71.83 -45.12 62.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.21 -5.62 28.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.519 HD13 ' CE1' ' A' ' 128' ' ' TYR . 1.1 tm? -111.16 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.728 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 86.9 m-85 -68.96 -48.6 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -84.53 33.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.97 -35.81 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -95.68 21.52 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.463 HD11 ' CD2' ' A' ' 105' ' ' PHE . 25.0 mt -79.77 155.45 75.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 152.16 69.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.82 -38.85 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -102.44 39.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.463 ' CD2' HD11 ' A' ' 101' ' ' LEU . 22.7 t80 -63.34 147.54 50.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -150.28 119.4 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.481 ' CD ' ' HB2' ' A' ' 36' ' ' GLU . 42.6 mtt-85 -57.49 135.51 82.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.46 42.67 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -98.83 -38.38 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 49.4 p -83.66 137.68 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 112' ' ' GLN . 5.0 p-10 -55.97 -52.19 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' ASP . 3.5 pt20 -34.73 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -91.9 -53.98 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.4 HG13 ' CD1' ' A' ' 58' ' ' ILE . 60.1 t -39.87 -58.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.429 ' CG ' HG12 ' A' ' 58' ' ' ILE . 6.9 mt-10 -40.16 -53.57 2.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 117' ' ' PHE . 17.2 m-85 -66.8 -59.66 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.4 t80 -36.36 -58.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 97.9 mt -58.05 -44.8 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 123' ' ' GLU . 27.0 mtp85 -58.94 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 31.4 m-20 -61.52 -20.59 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 49.0 tttp -78.1 -44.34 26.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.728 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 71.7 m-85 -104.71 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 119' ' ' ARG . 14.5 tt0 -50.35 -55.84 13.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.0 mmtp -82.39 -16.62 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.515 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 33.5 mmtm 59.45 29.61 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -49.72 -68.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -84.74 38.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.519 ' CE1' HD13 ' A' ' 96' ' ' LEU . 58.8 t80 -99.39 120.39 39.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.76 103.91 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -76.13 -38.88 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 130' ' ' LYS . 47.7 m-80 -36.26 -44.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -46.73 -57.98 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.422 ' O ' ' CG2' ' A' ' 133' ' ' ILE . 5.3 mp -88.39 61.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -95.8 20.34 10.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 135' ' ' ILE . 2.7 pp -107.52 31.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.3 t -75.72 116.05 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -162.78 90.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.18 3.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.6 m -121.74 167.63 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.6 p -49.48 139.07 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -80.34 175.0 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -94.68 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.87 -94.91 0.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -174.51 172.28 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -115.54 112.77 22.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.2 177.16 16.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -90.91 138.12 31.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' GLN . . . -90.53 -46.7 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' ALA . 36.4 tp60 -34.29 -47.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.33 -47.01 68.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.0 mp -80.22 45.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -107.69 101.6 10.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -87.75 -50.93 6.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -142.36 147.72 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.9 m170 -42.45 -52.19 4.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -48.22 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.27 -51.31 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.43 ' O ' ' N ' ' A' ' 22' ' ' LYS . 64.0 mt -44.78 -64.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.0 mt -39.61 -45.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -66.86 -38.19 85.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 11.7 mttm -65.33 -40.47 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 21.5 mt -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.481 HD22 ' CD1' ' A' ' 50' ' ' PHE . 69.8 mt -59.01 -52.8 64.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -40.08 -35.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.05 126.69 28.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -44.32 -24.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -66.54 -41.17 89.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.483 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 31.8 m-20 -113.79 30.4 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -83.82 -26.24 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -129.34 166.98 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.1 t -58.15 158.46 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.73 8.42 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -134.12 -59.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 20.6 p -99.1 6.06 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 42.3 35.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -53.87 168.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -96.89 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.42 67.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.405 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.66 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 71.5 m95 -55.07 173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.454 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -167.7 138.27 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -96.51 107.9 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.557 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 51.6 p-90 -72.28 -45.82 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.9 t30 -46.64 -40.26 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -89.05 -49.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 38.82 2.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 93' ' ' ALA . 31.5 m -143.04 162.44 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.483 ' CD2' ' HB3' ' A' ' 29' ' ' ASN . 84.9 m-85 -103.48 118.34 36.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 pt -122.06 161.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.7 p -77.56 178.26 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.5 tt -69.41 -35.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.1 tmm_? -59.76 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.465 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 76.9 m -55.78 -48.55 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -43.57 -50.24 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.2 -42.02 16.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.0 mp -71.59 -37.62 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.075 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.51 -50.21 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -48.79 -43.7 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.7 m-80 -56.39 -51.86 66.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.4 mt -35.34 -57.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 136.61 3.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.2 m -47.1 -41.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 111.153 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.526 ' CD2' HG13 ' A' ' 66' ' ' ILE . 48.0 p-80 -62.77 -30.85 71.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.526 HG13 ' CD2' ' A' ' 65' ' ' HIS . 16.6 mt -86.25 -62.76 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.4 m -151.75 128.84 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -99.6 153.99 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 63.2 t -127.11 131.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 13.4 ptmm? -156.56 138.8 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.472 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 52.0 m -53.65 145.13 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.405 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 4.2 t -71.44 -58.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -63.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 27.4 mt -37.65 -54.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.7 158.74 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -93.62 141.08 28.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.557 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.5 m95 -123.84 163.65 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.1 p -133.78 169.12 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 -41.48 23.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -52.7 -52.22 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.456 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 7.3 mp0 -71.62 -49.32 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.42 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 42.9 mm -50.23 -58.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -46.69 -46.73 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.06 -47.82 81.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.474 ' HE1' ' CZ ' ' A' ' 50' ' ' PHE . 85.7 mmm -47.83 -52.95 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.42 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 2.8 mp0 -67.71 -48.51 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.9 -63.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.27 -73.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.57 172.79 1.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.67 -44.59 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.47 ' N ' HH21 ' A' ' 94' ' ' ARG . 25.3 m -38.53 -68.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -59.58 -49.82 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.441 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . . . -38.42 -38.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.47 HH21 ' N ' ' A' ' 91' ' ' THR . 59.4 mtm180 -74.56 -45.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.24 -8.32 23.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.579 HD13 ' CE1' ' A' ' 128' ' ' TYR . 1.2 tm? -108.36 -68.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.656 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 96.4 m-85 -69.77 -49.23 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.7 34.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.86 -30.6 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -99.86 22.14 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.51 HD21 ' CD2' ' A' ' 105' ' ' PHE . 55.6 mt -74.84 148.52 84.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.9 55.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.99 -26.63 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -114.24 41.17 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.51 ' CD2' HD21 ' A' ' 101' ' ' LEU . 5.3 t80 -64.25 142.07 58.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -126.41 110.82 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -63.1 121.83 71.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.7 33.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.24 -38.49 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 35.7 p -82.19 144.68 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -45.54 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -39.41 -40.38 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.1 -55.07 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.431 ' O ' ' C ' ' A' ' 115' ' ' GLU . 94.5 t -39.85 -65.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -34.41 -53.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.488 ' N ' ' OE1' ' A' ' 115' ' ' GLU . 9.1 m-85 -62.62 -55.36 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 39.8 t80 -40.31 -48.96 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.04 -34.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -71.3 -10.61 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.89 -19.21 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.52 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 28.0 tttt -83.93 -29.13 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.656 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 34.6 m-85 -114.07 -59.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.76 -59.01 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -75.53 -18.12 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.562 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 38.0 mmtm 59.07 29.03 18.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -48.05 -67.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.39 38.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.579 ' CE1' HD13 ' A' ' 96' ' ' LEU . 41.0 t80 -94.77 123.45 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -92.55 99.03 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -72.51 -35.25 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -48.88 -42.8 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.47 ' HB1' ' CD2' ' A' ' 96' ' ' LEU . . . -67.4 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.41 ' O ' ' CG2' ' A' ' 133' ' ' ILE . 27.0 mm -75.75 58.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.48 135.56 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 2.7 pp -88.16 146.39 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.3 t -65.65 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.36 111.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 -2.53 10.4 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.259 . . . . 0.0 112.3 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.6 m -51.44 115.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.8 t -78.55 140.16 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.492 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -170.8 147.39 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -118.29 132.65 56.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.62 74.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 7' ' ' GLY . 8.5 t -126.15 148.47 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -47.98 92.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -144.78 -52.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? 43.5 40.73 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.01 38.33 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.4 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.5 mp0 -59.39 -62.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -51.26 -38.13 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.67 48.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.4 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 66.5 m-20 -115.14 37.75 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.34 44.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -133.38 106.92 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' O ' ' C ' ' A' ' 17' ' ' GLN . 2.9 m-70 -66.91 -58.34 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' HIS . 4.8 mm-40 -33.38 -51.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.7 -54.75 41.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 55.3 mt -43.33 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.5 mt -46.23 -47.33 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -62.1 -40.24 95.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.48 -35.48 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.3 mt -68.21 -46.2 71.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 50' ' ' PHE . 61.1 mt -55.37 -40.32 71.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -49.38 -33.29 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.81 130.91 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -48.4 -25.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 1.3 m-20 -115.04 26.38 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -86.33 -26.55 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -130.46 154.6 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.3 t -41.88 161.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.34 6.08 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.47 -54.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.1 p -102.96 8.05 39.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' HG3' ' CZ ' ' A' ' 107' ' ' ARG . 14.5 mm-40 42.08 33.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -54.38 165.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -97.18 108.9 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.13 59.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 81.57 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.373 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -58.36 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 60.2 m95 -46.83 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.91 125.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.71 104.59 14.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 41.9 p-90 -66.3 -53.43 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.49 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 16.8 t30 -33.89 -41.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.454 HD13 ' CE2' ' A' ' 122' ' ' TYR . 58.2 mt -95.46 -40.81 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 43.51 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.485 HG12 ' CB ' ' A' ' 93' ' ' ALA . 27.2 m -142.65 146.73 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -89.97 118.29 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.8 pt -125.14 154.16 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -71.71 -179.96 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.7 tp -68.65 -48.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.5 tmm_? -50.28 -60.19 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 m -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.06 -53.82 15.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.43 -37.99 3.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.406 HG21 ' CG ' ' A' ' 115' ' ' GLU . 3.9 mp -77.36 -37.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.404 ' NE2' HG21 ' A' ' 118' ' ' ILE . 4.3 m-70 -58.08 -45.11 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -50.54 -48.14 57.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' LEU . 87.5 m-20 -49.1 -49.86 39.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 61' ' ' ASN . 23.2 mt -34.38 -53.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 142.73 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.32 -31.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 66' ' ' ILE . 39.4 p-80 -67.79 -30.66 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 65' ' ' HIS . 26.1 mt -87.27 -53.98 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 18.8 t -157.0 152.33 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.6 mtt85 -119.52 125.63 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.403 HG11 ' N ' ' A' ' 70' ' ' LYS . 61.6 t -99.75 137.16 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.403 ' N ' HG11 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -164.57 155.78 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.879 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -65.67 175.58 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 2.1 t -104.34 -39.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.04 -52.17 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.0 mt -50.28 -46.44 55.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.15 150.86 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -90.96 142.62 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.8 m95 -118.6 177.78 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.4 p -137.04 149.9 47.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.5 -46.98 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -45.56 -60.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.549 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 74.5 mt-30 -67.44 -44.26 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 39.8 mm -49.25 -64.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -39.15 -42.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.3 m -64.26 -51.89 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mmm -40.35 -54.52 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 8.4 mp0 -63.92 -53.43 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -51.27 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 tpt -63.08 -73.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 54.08 -174.47 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.422 ' OD1' ' CG ' ' A' ' 29' ' ' ASN . 5.5 m120 -69.16 -32.89 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.4 m -49.65 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 21.4 mtmt -59.29 -41.31 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.485 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -49.61 -38.87 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -75.71 -42.75 50.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.58 -4.17 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' CD2' ' HB3' ' A' ' 132' ' ' ALA . 0.7 OUTLIER -114.27 -61.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CE1' ' CE2' ' A' ' 122' ' ' TYR . 90.4 m-85 -76.45 -49.4 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.85 35.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.45 -40.08 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -87.29 13.59 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.505 HD22 ' CD1' ' A' ' 105' ' ' PHE . 21.2 mt -79.94 146.83 64.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 137.43 35.37 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.05 -40.0 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.51 35.78 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.505 ' CD1' HD22 ' A' ' 101' ' ' LEU . 13.0 t80 -64.58 145.56 55.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.484 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -129.62 144.92 51.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.426 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 12.0 mtt85 -86.28 130.51 49.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.466 ' NE2' ' HA ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -72.01 -23.33 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.5 p -87.18 130.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -53.5 48.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.01 -48.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.14 -49.2 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.25 -59.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.406 ' CG ' HG21 ' A' ' 58' ' ' ILE . 20.3 tt0 -42.46 -54.7 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 119' ' ' ARG . 8.6 m-85 -62.0 -59.25 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.484 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 32.0 t80 -35.97 -57.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . 0.404 HG21 ' NE2' ' A' ' 59' ' ' HIS . 80.3 mt -58.5 -39.5 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.437 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 19.1 mtp180 -63.89 -57.34 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.0 -19.52 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.484 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 75.4 tttt -80.72 -43.54 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.454 ' CE2' HD13 ' A' ' 47' ' ' ILE . 58.8 m-85 -103.95 -61.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.437 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 9.1 tt0 -46.44 -60.72 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.62 -20.3 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.527 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.0 mmtp 62.43 26.12 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -47.08 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.474 ' CD2' HD21 ' A' ' 101' ' ' LEU . 3.2 m-85 -82.23 38.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.527 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 66.5 t80 -99.91 118.52 36.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -91.21 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -80.42 -36.68 33.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -52.13 -39.76 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.409 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -62.39 -19.14 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 32.7 mm -82.15 60.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.92 170.77 16.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.76 134.71 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 m -127.36 132.44 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -120.0 137.5 12.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.13 25.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.3 m -108.65 164.29 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.9 t -133.1 164.85 26.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -98.48 159.62 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -105.66 122.75 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.19 109.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -128.44 110.08 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.6 p -138.64 176.34 8.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.93 69.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -81.33 41.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.47 41.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -88.21 -61.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -44.16 -55.82 4.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -44.47 -55.32 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 2.2 m-20 -61.77 101.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -89.95 46.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.414 ' C ' HD13 ' A' ' 19' ' ' ILE . 3.4 mp0 -113.2 88.47 2.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -48.76 -51.7 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 9.7 mm-40 -60.68 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.28 -56.58 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.414 HD13 ' C ' ' A' ' 15' ' ' GLN . 20.3 mt -47.58 -53.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 33.7 mt -44.26 -44.3 7.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -65.24 -39.02 92.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 30.3 mt -65.63 -45.29 83.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.513 HD23 ' CG ' ' A' ' 50' ' ' PHE . 32.9 mt -59.74 -47.59 85.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.41 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 7.5 mtp-105 -44.28 -39.84 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.82 137.27 56.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.414 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 37.4 tt0 -53.11 -32.92 49.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -25.23 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -123.38 28.17 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.414 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.17 -24.7 32.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -132.07 158.61 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.4 t -46.64 162.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.69 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -134.3 -55.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.6 p -100.57 3.63 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 78.3 mm-40 43.75 37.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.41 177.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -105.13 97.33 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.16 64.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.84 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.745 2.297 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.451 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 11.2 tpp180 -65.35 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.451 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 62.3 m95 -50.73 171.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.42 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . . . -164.86 122.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.62 105.14 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.455 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 48.9 p-90 -66.72 -47.69 71.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -39.83 -45.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.562 HD12 ' CD2' ' A' ' 122' ' ' TYR . 21.9 mt -89.68 -49.4 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.83 44.44 1.21 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.467 HG12 ' CB ' ' A' ' 93' ' ' ALA . 28.9 m -146.96 151.46 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.513 ' CG ' HD23 ' A' ' 24' ' ' LEU . 91.8 m-85 -88.81 128.04 35.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.54 154.6 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.49 -176.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 5.3 tp -75.62 -36.11 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.421 ' HD2' ' C ' ' A' ' 54' ' ' ARG . 7.6 tmm_? -59.08 -48.28 82.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 96.4 m -69.98 -43.02 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -42.44 -48.77 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.42 -41.8 63.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 11.3 mt -63.09 -42.18 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.138 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.428 ' CB ' ' CG2' ' A' ' 69' ' ' VAL . 15.2 m-70 -56.04 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -49.74 -47.59 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' LEU . 57.4 m-20 -53.99 -52.23 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 61' ' ' ASN . 20.4 mt -33.98 -52.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.35 147.33 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.25 -28.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.069 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.483 ' CD2' HG13 ' A' ' 66' ' ' ILE . 19.8 p-80 -73.82 -29.23 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.483 HG13 ' CD2' ' A' ' 65' ' ' HIS . 27.0 mt -86.93 -58.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -152.67 163.62 39.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.445 ' HG3' ' CZ2' ' A' ' 45' ' ' TRP . 8.2 mmm180 -119.48 168.28 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.428 ' CG2' ' CB ' ' A' ' 59' ' ' HIS . 60.5 t -147.05 130.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -163.79 158.25 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.447 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 3.6 m -61.15 175.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 14.6 t -109.85 -38.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.08 -37.73 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.447 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 91.1 mt -60.69 -52.05 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.38 164.4 15.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -91.87 148.89 21.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -123.63 166.96 14.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.4 p -127.01 157.57 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.16 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.11 -50.28 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.455 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 46.9 mt-30 -68.05 -44.33 76.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.9 mm -54.95 -57.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -47.33 -39.28 14.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -62.92 -42.91 99.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.0 mmm -52.64 -50.3 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 24.5 mp0 -70.67 -46.77 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.75 -62.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.6 tpt -74.52 -74.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.19 173.52 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -70.21 -41.78 73.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -41.41 -69.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -60.23 -43.76 95.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.467 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.812 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -74.22 -43.65 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.96 -3.13 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.502 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -113.04 -63.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.5 -47.36 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.467 ' CB ' HD11 ' A' ' 101' ' ' LEU . 44.1 mt-10 -86.26 35.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.76 -41.8 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -89.98 21.79 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.557 HD13 ' CD2' ' A' ' 105' ' ' PHE . 22.2 mt -72.86 155.94 90.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 152.28 69.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.312 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.6 -38.3 66.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -103.09 38.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.557 ' CD2' HD13 ' A' ' 101' ' ' LEU . 12.9 t80 -61.31 140.24 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -145.15 114.23 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -53.17 130.78 51.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 136.87 33.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -96.41 -39.62 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.1 p -77.81 138.72 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' GLN . 11.5 p-10 -56.79 -49.27 75.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.409 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 25.1 pt20 -38.37 -43.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.409 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -81.26 -55.09 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 113' ' ' ALA . 59.6 t -37.7 -57.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -44.54 -43.51 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ARG . 37.4 m-85 -75.53 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.447 ' CE1' ' HD2' ' A' ' 121' ' ' LYS . 15.9 t80 -37.51 -53.57 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 89.9 mt -62.53 -38.32 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' GLU . 34.1 mtt180 -63.4 -50.75 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.86 -9.75 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.447 ' HD2' ' CE1' ' A' ' 117' ' ' PHE . 53.2 tttt -99.57 -20.02 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.562 ' CD2' HD12 ' A' ' 47' ' ' ILE . 52.7 m-85 -122.2 -51.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 119' ' ' ARG . 12.2 tt0 -63.84 -72.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -63.36 -24.55 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.09 38.3 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -59.95 -59.84 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.16 32.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.502 ' CE1' HD11 ' A' ' 96' ' ' LEU . 79.1 t80 -95.01 118.25 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.44 108.59 19.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.403 ' C ' ' HD2' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -85.3 -32.82 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -54.82 -38.42 67.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -16.61 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 28.2 mm -82.95 60.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.88 14.42 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.2 mp -68.85 129.09 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.0 p -52.36 164.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.41 115.06 4.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.53 65.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.0 t -71.05 98.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 t -42.8 -54.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.523 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -164.7 126.61 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -152.03 155.26 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.35 81.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -74.19 97.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -119.58 157.35 28.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.63 118.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -99.3 99.27 10.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -48.49 -40.98 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -39.23 -50.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -89.65 -36.96 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.5 35.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -71.93 100.21 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -95.36 -51.99 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.426 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 5.8 pt20 -150.35 142.2 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.445 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 4.1 m-70 -44.58 -60.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -40.34 -52.08 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 1.2 tm? -55.06 -57.92 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.72 -60.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.6 mt -42.82 -47.38 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -51.68 -44.25 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.463 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 22.8 mt -59.82 -57.78 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.563 HD21 ' CD1' ' A' ' 50' ' ' PHE . 50.7 mt -48.92 -48.27 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.908 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -43.28 -43.22 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.78 145.35 19.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.4 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 3.3 tp10 -59.36 -36.72 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.93 -22.22 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -121.48 24.97 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.4 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.3 -17.27 43.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.434 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 8.8 m-85 -141.55 151.43 43.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.457 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.9 t -38.86 159.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' C ' ' OD1' ' A' ' 34' ' ' ASP . . . -90.31 0.5 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 33' ' ' ALA . 2.3 m-20 -126.98 -61.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.4 p -95.81 4.95 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 pt-20 39.99 43.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.03 -178.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -106.92 98.44 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 62.49 0.76 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.79 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.414 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.15 -70.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.459 ' NE1' HD12 ' A' ' 53' ' ' ILE . 57.2 m95 -49.35 163.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.39 120.18 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.48 114.96 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 46.1 p-90 -74.9 -54.2 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -37.95 -32.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.401 HD12 ' CD2' ' A' ' 122' ' ' TYR . 70.4 mt -100.86 -47.43 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.94 42.44 2.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.421 HG12 ' CB ' ' A' ' 93' ' ' ALA . 35.9 m -144.52 153.42 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.563 ' CD1' HD21 ' A' ' 24' ' ' LEU . 97.2 m-85 -93.81 126.92 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.4 pt -128.3 159.3 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.94 -176.68 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.459 HD12 ' NE1' ' A' ' 42' ' ' TRP . 5.4 tp -72.76 -29.34 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.424 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.1 tmm_? -66.7 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.424 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.4 m -52.33 -44.85 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.54 -46.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -46.37 76.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.7 mt -59.69 -37.68 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -59.98 -46.51 89.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -57.53 -45.7 84.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.3 m-20 -53.15 -51.3 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' ASN . 24.5 mt -36.78 -55.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.31 138.16 3.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.5 m -47.67 -36.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -65.21 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 11.5 mt -84.47 -61.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -148.53 147.71 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.454 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.5 mtp180 -118.04 149.42 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 82.4 t -123.27 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -156.1 137.16 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -47.41 167.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 8.6 t -100.87 -50.5 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -52.16 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.2 mt -48.44 -41.69 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -96.26 161.42 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -92.15 150.33 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -127.29 165.28 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.1 p -122.28 147.68 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.18 -45.26 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -52.87 -43.86 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -76.18 -34.99 59.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.408 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 9.2 mm -57.57 -51.05 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' MET . 2.7 m -46.96 -60.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' CYS . 83.2 mmm -36.65 -56.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.463 ' OE1' ' CD1' ' A' ' 23' ' ' LEU . 3.7 mp0 -63.48 -47.83 80.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -52.61 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.5 tpt -73.38 -75.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.62 156.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -52.54 -39.92 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -40.48 -70.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -61.52 -45.1 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.421 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -40.81 -41.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.802 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -70.21 -46.95 63.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.9 mt -68.13 -7.44 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.46 HD12 ' CE1' ' A' ' 128' ' ' TYR . 0.8 OUTLIER -107.74 -67.3 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.401 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 77.0 m-85 -71.14 -50.08 37.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.465 ' CB ' HD11 ' A' ' 101' ' ' LEU . 39.9 mt-10 -86.89 36.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -94.47 -40.44 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.9 19.33 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.465 HD11 ' CB ' ' A' ' 98' ' ' GLU . 18.4 mt -86.56 147.32 43.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.45 33.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.13 -40.35 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.63 35.07 1.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.438 ' CZ ' ' HA ' ' A' ' 107' ' ' ARG . 7.3 t80 -60.07 143.34 52.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -131.75 90.46 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.438 ' HA ' ' CZ ' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -48.64 141.93 9.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 145.62 57.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -105.93 -37.13 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 111' ' ' ASP . 34.3 p -73.34 117.89 15.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.3 OUTLIER -34.74 -58.76 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.1 mp0 -35.31 -58.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.62 -50.16 70.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.38 -40.45 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.4 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -73.77 -53.99 9.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.441 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 31.5 t80 -43.79 -61.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 76.7 mt -55.15 -38.84 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 35.3 mtp85 -61.3 -56.82 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.45 -10.04 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.441 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 57.5 tttt -91.3 -39.02 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.401 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 75.1 m-85 -108.2 -44.37 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.502 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 0.2 OUTLIER -66.71 -68.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -67.37 -22.21 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.504 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.8 mmtp 59.19 37.0 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -58.24 -73.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.463 ' CD2' HD21 ' A' ' 101' ' ' LEU . 6.3 m-85 -66.19 -18.65 65.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.504 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 85.5 t80 -46.34 126.8 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.78 116.37 28.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -89.55 -36.46 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -40.01 -37.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -52.5 -44.2 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.445 ' C ' ' O ' ' A' ' 132' ' ' ALA . 28.6 mm -33.6 -40.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 74.12 32.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.467 ' CD1' ' N ' ' A' ' 136' ' ' SER . 0.1 OUTLIER -82.46 137.79 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.467 ' N ' ' CD1' ' A' ' 135' ' ' ILE . 10.3 m -36.99 113.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -170.91 122.44 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.284 . . . . 0.0 112.286 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 t -175.06 176.55 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 33.2 t -132.45 132.13 42.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.475 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -83.5 101.37 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -169.05 175.43 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.47 123.0 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -161.73 136.29 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -102.31 43.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.21 81.9 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -45.54 170.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 10' ' ' GLN . . . -128.6 -30.9 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -34.26 -63.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.16 -32.15 71.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.34 80.95 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -157.38 136.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.9 43.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -109.01 87.39 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -40.86 -58.17 1.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -52.6 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -46.34 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -42.1 -56.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.417 HD13 ' CG1' ' A' ' 72' ' ' VAL . 36.3 mt -48.41 -43.73 34.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -65.01 -44.45 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.76 -48.78 63.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.9 mt -52.66 -43.86 65.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.12 -13.06 10.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -118.24 36.6 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -119.64 29.41 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 44.74 25.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 7.8 p30 -123.77 -37.84 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 47.0 m-80 -117.23 21.69 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -60.69 -29.99 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.71 165.1 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.431 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.0 t -53.57 161.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 3.19 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 121' ' ' LYS . 2.6 m-20 -126.7 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.1 p -88.85 -4.18 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE1' ' CZ ' ' A' ' 107' ' ' ARG . 91.7 mt-10 52.2 39.29 26.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.33 130.76 43.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.21 117.43 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.44 59.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 87.19 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.6 -70.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.468 ' NE1' HD13 ' A' ' 53' ' ' ILE . 48.4 m95 -59.73 167.29 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.09 130.84 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -89.32 113.19 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.562 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 63.4 p-90 -73.04 -50.67 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -44.37 -31.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 122' ' ' TYR . 96.3 mt -97.46 -40.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.82 40.31 4.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.9 m -146.4 153.66 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -96.4 118.81 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 pt -121.31 164.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -81.67 177.22 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.8 tp -64.94 -48.09 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.438 ' N ' HG21 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.8 -62.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 68.5 m -54.28 -45.54 72.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.78 -52.79 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.54 -48.78 7.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.51 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 5.0 mp -62.32 -44.51 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -52.58 -45.08 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.402 HH11 ' HD3' ' A' ' 60' ' ' ARG . 29.0 mtp180 -53.25 -50.11 65.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -53.67 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.498 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 33.5 mt -32.98 -50.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.04 133.56 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.5 m -47.72 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -79.61 -35.53 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.525 HG13 ' CD2' ' A' ' 65' ' ' HIS . 36.6 mt -78.71 -54.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.461 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 51.2 m -159.64 130.49 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -98.54 152.92 19.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.6 t -127.22 134.23 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -158.8 142.83 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.465 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 17.6 m -57.09 138.1 54.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 14.5 t -61.99 -47.22 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' LEU . 12.6 t30 -107.12 -65.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' C ' ' O ' ' A' ' 73' ' ' ASN . 30.2 mt -32.45 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -99.0 158.91 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.8 145.26 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.435 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.0 m95 -124.0 176.56 6.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.9 p -136.84 155.25 50.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -46.9 -50.56 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.562 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 6.4 mp0 -67.21 -49.83 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.8 mm -48.47 -62.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.6 -48.77 14.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 m -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -38.31 -47.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 14.8 mp0 -71.28 -44.84 64.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.62 -57.72 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.4 tpt -84.05 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.75 174.73 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 5.0 m-20 -68.51 -41.51 79.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.2 m -39.63 -64.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' LEU . 48.4 mttm -67.47 -47.57 69.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.29 -40.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -74.28 -38.61 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 92' ' ' LYS . 11.8 mt -76.65 -5.5 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.558 HD13 ' CE1' ' A' ' 128' ' ' TYR . 1.0 OUTLIER -110.14 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 87.4 m-85 -73.61 -48.22 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -84.79 34.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.09 -37.9 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -89.14 18.39 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.442 HD21 ' CD1' ' A' ' 105' ' ' PHE . 15.2 mt -76.22 145.14 76.14 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.98 46.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.19 -38.57 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.7 OUTLIER -100.13 38.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.518 ' CZ ' ' HA ' ' A' ' 107' ' ' ARG . 14.8 t80 -62.39 143.55 56.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -125.55 97.3 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.518 ' HA ' ' CZ ' ' A' ' 105' ' ' PHE . 18.8 ttp-105 -54.67 120.03 25.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.6 48.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -108.05 -38.5 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 40.1 p -81.04 143.8 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 m-20 -52.11 -47.9 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.5 tp-100 -37.07 -44.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.84 -56.01 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.461 ' O ' ' C ' ' A' ' 115' ' ' GLU . 62.0 t -42.35 -66.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 114' ' ' VAL . 5.9 tp10 -32.69 -55.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.72 -47.75 83.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.525 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 38.5 t80 -43.74 -61.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.79 -39.41 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -68.55 -8.71 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -124.83 -10.76 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.525 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 14.4 ttpt -93.73 -37.02 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 m-85 -106.62 -47.48 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -65.48 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -72.54 -21.42 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.505 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 55.4 mmtt 58.17 36.85 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -57.16 -65.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 33.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.558 ' CE1' HD13 ' A' ' 96' ' ' LEU . 69.0 t80 -90.53 122.22 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -91.4 57.72 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.58 -28.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -45.96 -45.51 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.454 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -46.27 -41.11 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.2 mp -103.81 66.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.39 12.12 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 45.5 mm -84.77 90.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -149.67 143.88 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.96 174.38 21.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -29.3 24.22 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 84.1 p -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.1 t -123.06 126.75 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -121.72 158.94 27.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.804 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.3 p -162.6 157.41 21.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.88 73.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -126.06 129.79 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -127.16 161.05 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.8 mptm? -105.8 84.79 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -36.54 -48.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -49.33 -44.8 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' LYS . 12.9 ttpp -71.77 -40.34 69.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.37 50.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -132.3 98.13 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -120.0 -57.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -152.05 133.58 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 82' ' ' ILE . 16.0 m170 -38.82 -64.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' HIS . 10.6 mm100 -36.24 -67.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -48.9 -60.08 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 89.3 mt -38.83 -58.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 22.9 mt -42.88 -42.84 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -68.43 -38.75 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -59.85 -36.15 76.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 10.8 mt -69.64 -42.6 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.566 HD21 ' CD1' ' A' ' 50' ' ' PHE . 79.0 mt -58.67 -44.6 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -49.68 -31.41 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -67.11 135.82 54.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.455 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 11.8 tt0 -51.7 -32.66 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -33.65 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 3.7 m-20 -116.95 26.96 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.455 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 9.6 mmtp -82.75 -17.8 42.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.42 164.61 29.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 15.2 t -51.38 156.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.16 5.68 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.64 -60.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.6 p -94.39 6.6 48.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.439 ' CG ' ' HD3' ' A' ' 107' ' ' ARG . 7.2 mm-40 40.28 35.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.31 149.96 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -81.73 107.53 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.62 63.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.21 -70.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.464 ' NE1' HD11 ' A' ' 53' ' ' ILE . 54.5 m95 -57.25 168.91 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.04 136.68 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.8 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.575 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 43.4 p-90 -67.44 -53.79 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.664 ' ND2' ' H ' ' A' ' 68' ' ' ARG . 2.2 p30 -33.89 -40.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.8 mt -95.4 -45.49 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.38 41.32 2.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 29.9 m -140.97 146.54 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.566 ' CD1' HD21 ' A' ' 24' ' ' LEU . 94.7 m-85 -90.54 123.85 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.7 pt -128.4 167.12 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.63 -178.88 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.464 HD11 ' NE1' ' A' ' 42' ' ' TRP . 5.2 tp -71.14 -35.89 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.439 ' N ' HG22 ' A' ' 53' ' ' ILE . 7.9 tmm_? -58.76 -62.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 86.2 m -56.07 -44.62 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -45.07 -52.69 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -39.79 7.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 HG12 ' CB ' ' A' ' 115' ' ' GLU . 3.3 mp -74.43 -37.31 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.45 -42.39 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 6.7 mtp-105 -56.5 -42.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' LEU . 4.2 m-20 -55.31 -47.38 75.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 31.9 mt -34.41 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.05 144.49 5.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.5 m -57.2 -16.75 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.411 ' CD2' HG13 ' A' ' 66' ' ' ILE . 24.6 p-80 -88.74 -26.94 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.411 HG13 ' CD2' ' A' ' 65' ' ' HIS . 21.4 mt -89.85 -47.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -156.29 146.74 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.664 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 25.9 mtm180 -124.15 93.87 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 60.2 t -68.73 135.98 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -155.67 148.83 24.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.484 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.9 m -65.77 133.6 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 2.2 t -62.4 -34.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.89 -67.41 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.484 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.8 mt -37.94 -34.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -94.06 159.9 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -95.61 119.12 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.542 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 18.5 m95 -99.78 166.27 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' ALA . 59.2 p -133.15 151.45 51.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.61 -49.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.64 -51.07 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.575 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -62.95 -25.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 16' ' ' HIS . 18.0 mm -80.94 -29.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -67.43 -28.92 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 85' ' ' MET . 13.0 p -81.22 -43.22 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.497 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 80.8 mmm -49.27 -42.0 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.5 OUTLIER -81.71 -59.86 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -42.71 -40.14 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -98.71 -74.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 -162.76 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -98.12 -28.25 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 90.6 m -59.37 -43.14 92.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -87.98 -37.38 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -59.68 -36.17 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.469 ' HG3' ' N ' ' A' ' 95' ' ' LEU . 31.6 ptt180 -71.85 -47.39 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.469 ' N ' ' HG3' ' A' ' 94' ' ' ARG . 26.4 mt -68.45 -13.22 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.444 HD12 ' CE1' ' A' ' 128' ' ' TYR . 1.6 tm? -97.56 -67.65 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.88 -48.59 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.35 37.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.462 ' CB ' ' O ' ' A' ' 95' ' ' LEU . . . -95.92 -43.79 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.1 23.42 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.543 HD22 ' CD1' ' A' ' 105' ' ' PHE . 18.6 mt -59.74 152.5 57.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.43 66.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -51.92 -46.89 64.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -95.52 38.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.543 ' CD1' HD22 ' A' ' 101' ' ' LEU . 37.6 t80 -59.95 147.59 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.418 ' CZ ' ' HB3' ' A' ' 106' ' ' ARG . 20.4 ttp-105 -153.77 115.8 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.439 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 58.5 mtm-85 -52.71 125.39 37.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.04 41.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -104.47 -40.08 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.5 t -81.71 126.02 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLN . 3.8 t70 -43.5 -50.8 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' ASP . 33.9 tt0 -37.01 -34.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.06 -49.08 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLU . 59.5 t -48.24 -63.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.453 ' CB ' HG12 ' A' ' 58' ' ' ILE . 12.8 tt0 -36.7 -56.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' ARG . 11.0 m-85 -58.97 -58.49 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.552 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 29.6 t80 -36.64 -53.24 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.8 -37.75 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.484 ' O ' ' N ' ' A' ' 123' ' ' GLU . 23.4 mtp85 -68.21 -59.42 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.81 -9.12 25.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.552 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 16.8 ttpp -95.3 -43.16 8.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . 3.9 tm-20 -64.29 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -73.83 -25.62 60.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 24.1 mmtp 61.45 40.13 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -61.36 -71.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.18 -18.69 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 86.4 t80 -47.96 118.22 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -89.21 114.74 26.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -90.11 -38.37 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ALA . 22.7 m-20 -46.03 -42.57 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . . . -36.01 -39.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.4 mp -98.17 64.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -151.15 164.57 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.48 130.89 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.7 p -44.19 140.44 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -89.05 -158.19 33.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 143.68 51.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.3 p -131.51 146.19 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.7 t -118.06 -50.14 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.468 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -82.54 110.78 17.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -119.72 142.08 48.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.82 60.39 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -124.04 114.42 19.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -140.96 118.35 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.75 -145.13 4.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -121.34 94.34 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.17 -53.6 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.429 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -41.91 -35.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.429 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -83.78 -46.54 12.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -79.92 44.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -110.37 42.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -95.77 -45.43 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -78.03 88.65 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.432 ' O ' ' C ' ' A' ' 17' ' ' GLN . 19.2 m-70 -45.67 -68.09 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' HIS . 47.9 mm-40 -35.9 -53.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.407 ' HG ' ' CE ' ' A' ' 22' ' ' LYS . 60.9 tp -55.43 -53.9 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 16.5 mt -49.85 -61.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.46 HD11 ' CG ' ' A' ' 77' ' ' TRP . 38.1 mt -41.81 -43.84 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -66.02 -40.88 91.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.407 ' CE ' ' HG ' ' A' ' 18' ' ' LEU . 13.5 mttm -55.55 -44.06 76.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 27.8 mt -57.4 -49.46 76.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 79.9 mt -57.58 -42.55 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -53.32 -43.85 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -44.91 158.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.85 25.04 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.421 ' CG ' ' HB2' ' A' ' 90' ' ' ASN . 2.8 t70 -120.16 -37.07 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -106.02 27.07 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -72.66 -27.05 61.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.6 m-85 -133.71 175.1 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.401 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.7 t -61.38 165.42 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.23 -3.63 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 36.0 m-20 -120.87 -54.12 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' GLU . 22.8 p -106.56 10.13 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 49.6 mm-40 36.89 39.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.46 156.44 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -86.63 106.57 17.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.12 64.09 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 86.56 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -62.1 162.0 10.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -159.52 120.51 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -80.76 101.57 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.574 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 69.1 p-90 -66.03 -47.89 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 3.8 t30 -43.74 -39.08 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.424 HD11 ' CD2' ' A' ' 122' ' ' TYR . 71.9 mt -90.08 -50.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.404 ' C ' HG13 ' A' ' 49' ' ' VAL . . . 109.0 41.8 1.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.404 HG13 ' C ' ' A' ' 48' ' ' GLY . 35.8 m -151.07 152.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 87.5 m-85 -93.7 125.6 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.78 169.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.49 178.25 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.444 HG23 ' N ' ' A' ' 54' ' ' ARG . 17.2 tt -70.39 -38.14 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.453 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -56.38 -62.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.453 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 72.3 m -57.85 -40.08 79.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -47.38 -53.07 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.7 -38.84 30.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.5 mp -72.5 -41.91 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.54 -52.23 48.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.431 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.7 mtp-105 -45.61 -50.8 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' LEU . 83.1 m-20 -48.57 -48.41 38.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.429 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 33.1 mt -36.8 -52.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.35 137.73 3.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.0 m -50.58 -26.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.0 p-80 -75.47 -28.59 59.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.571 HG13 ' CD2' ' A' ' 65' ' ' HIS . 32.8 mt -89.05 -56.75 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 49.4 m -149.88 130.27 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -109.88 76.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 96.6 t -40.84 130.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -138.57 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.453 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.1 p -102.51 135.66 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -69.79 -52.39 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 74' ' ' LEU . 62.5 t30 -89.26 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 73' ' ' ASN . 47.4 mt -32.35 -48.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -101.04 163.13 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.97 160.84 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 16.8 m95 -129.19 143.3 50.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.0 p -106.58 155.55 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.66 -46.16 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.73 -64.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.9 -47.2 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -47.3 -56.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -50.54 -44.59 56.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -52.51 -45.36 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -50.7 -58.69 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.3 mp0 -58.51 -46.09 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.96 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.03 -72.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 170.82 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.8 m120 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' ASN . 93.8 m -34.49 -67.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 95' ' ' LEU . 29.8 mtpt -64.11 -52.22 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -35.88 -37.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -74.34 -44.36 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' LYS . 14.4 mt -69.58 -7.61 40.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.536 ' CD2' ' CB ' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -110.22 -63.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' TYR . 80.2 m-85 -73.86 -46.26 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.466 ' CB ' HD12 ' A' ' 101' ' ' LEU . 17.6 mt-10 -89.36 36.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.07 -41.72 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -81.53 14.1 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.585 HD21 ' CE2' ' A' ' 105' ' ' PHE . 52.2 mt -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.98 64.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -49.27 -42.45 40.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -101.75 43.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.585 ' CE2' HD21 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -63.81 161.12 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 ppt_? -144.87 128.36 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 5.0 ptp180 -87.48 137.46 32.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.43 27.87 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -88.92 -43.69 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 p -74.36 136.34 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 p-10 -50.41 -56.05 13.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.3 pt20 -32.74 -44.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.88 -57.68 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 94.3 t -37.77 -57.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -43.63 -52.98 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.49 -56.93 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.569 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 34.6 t80 -42.63 -55.3 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.15 -35.51 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 41.2 mtt180 -65.04 -57.0 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.474 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 5.5 m-20 -70.45 -13.82 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.569 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 44.8 tttt -86.33 -45.3 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.424 ' CD2' HD11 ' A' ' 47' ' ' ILE . 51.7 m-85 -98.99 -51.95 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.1 tt0 -60.53 -71.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.474 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -64.94 -24.07 67.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 62.3 32.04 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -51.95 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 3.8 m-85 -82.81 36.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -99.55 118.86 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.85 104.65 17.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' ASN . 16.9 pttp -75.52 -41.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' LYS . 5.9 t-20 -37.83 -45.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.536 ' CB ' ' CD2' ' A' ' 96' ' ' LEU . . . -37.18 -44.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.458 ' C ' ' O ' ' A' ' 132' ' ' ALA . 49.8 mm 33.2 54.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -128.28 18.96 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.24 170.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.9 t -110.59 -55.82 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -129.23 118.45 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.66 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.9 p -152.81 161.49 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -76.84 143.99 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -168.78 125.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -140.65 160.28 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.31 115.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -76.1 100.92 5.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -100.14 41.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 164.81 12.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.424 ' HE3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -97.71 -57.62 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.35 42.7 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -75.19 -49.41 19.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -56.35 -40.75 75.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.82 -61.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -54.14 164.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -133.25 78.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -97.13 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.446 ' O ' ' C ' ' A' ' 17' ' ' GLN . 6.2 m170 -54.37 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' HIS . 51.9 mm-40 -34.18 -62.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.96 -52.73 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 36.0 mt -49.56 -59.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.5 mt -45.55 -41.67 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -72.51 -36.97 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.34 -41.45 76.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.8 mt -63.68 -51.18 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 57.4 mt -52.07 -49.46 63.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -41.11 -42.79 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.02 140.42 37.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.439 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 17.0 tt0 -55.99 -34.85 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.27 -17.69 59.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -126.1 21.17 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.439 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 16.3 mmtp -78.67 -22.27 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -138.38 158.98 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.421 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 14.7 t -44.45 155.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.43 1.09 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -126.27 -72.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 18.0 p -82.42 -2.11 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 16.2 mm-40 47.37 42.99 14.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.62 176.71 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.69 105.64 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.5 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . 107.94 63.42 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' ARG . 53.8 Cg_endo -69.79 18.97 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.513 ' C ' ' O ' ' A' ' 40' ' ' PRO . 13.3 mmt180 -27.18 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' PRO . 65.1 m95 -45.78 152.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -156.48 147.44 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.61 87.32 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.47 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 27.5 p-90 -46.11 -40.74 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.464 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 26.7 t30 -46.55 -40.82 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.566 HD12 ' CE2' ' A' ' 122' ' ' TYR . 88.1 mt -97.34 -48.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.1 41.7 1.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 26.1 m -141.19 155.2 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.497 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 98.6 m-85 -98.79 119.03 36.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.6 pt -121.16 166.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.91 -175.72 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 2.8 tp -73.49 -42.03 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.3 tmm_? -55.21 -66.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.472 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 94.3 m -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -39.34 -45.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.97 73.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.44 HG23 ' CG ' ' A' ' 115' ' ' GLU . 9.2 mt -67.43 -40.85 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.48 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 9.3 m-70 -55.95 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -53.15 -45.5 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' LEU . 97.6 m-20 -52.0 -50.96 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.463 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 17.8 mt -36.9 -53.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 132.86 132.62 3.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 m -40.86 -34.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.558 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.9 p-80 -66.87 -40.38 87.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.558 HG13 ' CD2' ' A' ' 65' ' ' HIS . 25.1 mt -79.62 -55.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.464 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 1.2 t -143.78 154.21 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' N ' ' HG ' ' A' ' 67' ' ' SER . 15.5 mtt180 -133.22 98.19 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.48 ' CG2' ' HB2' ' A' ' 59' ' ' HIS . 58.7 t -74.65 139.24 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 11.4 ptmm? -164.58 134.39 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.61 165.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.507 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 2.7 t -90.48 -40.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -104.81 -53.7 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 38.1 mt -49.12 -33.81 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.6 155.92 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -90.06 130.41 36.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 18.1 m95 -117.23 168.2 10.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 46.7 p -133.54 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.431 ' CB ' ' NE2' ' A' ' 16' ' ' HIS . . . -36.41 -44.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.65 -55.22 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -63.02 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.7 mm -50.03 -56.7 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -40.6 -49.13 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' MET . 93.7 m -49.64 -58.75 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.497 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 83.8 mmm -34.33 -59.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.6 mp0 -63.08 -48.51 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.91 -53.6 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.1 tpt -86.6 -73.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.83 167.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 m120 -62.17 -44.37 96.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 59.2 m -37.52 -66.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -63.13 -50.75 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.431 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.81 -44.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -69.62 -43.93 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.405 ' C ' ' HB1' ' A' ' 99' ' ' ALA . 17.8 mt -72.55 -4.87 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.518 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -110.16 -68.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 122' ' ' TYR . 83.4 m-85 -76.7 -44.77 32.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.49 ' HG3' ' CD1' ' A' ' 101' ' ' LEU . 23.2 tt0 -89.47 36.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . 0.405 ' HB1' ' C ' ' A' ' 95' ' ' LEU . . . -114.92 -34.13 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.468 ' ND2' ' HB2' ' A' ' 129' ' ' ASP . 18.8 m-80 -90.9 19.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.49 ' CD1' ' HG3' ' A' ' 98' ' ' GLU . 18.4 mt -63.83 154.87 79.64 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.78 68.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.12 -25.9 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -117.96 44.12 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.1 144.34 56.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -134.88 103.6 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -52.93 117.5 11.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.51 40.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -105.43 -37.91 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.3 p -85.06 128.75 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.8 m-20 -41.59 -47.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' ASP . 11.1 tt0 -34.82 -43.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -90.18 -52.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.8 t -42.65 -54.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.44 ' CG ' HG23 ' A' ' 58' ' ' ILE . 17.4 tt0 -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' ARG . 41.3 m-85 -76.24 -58.57 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.574 ' CZ ' ' HE3' ' A' ' 121' ' ' LYS . 25.9 t80 -34.12 -51.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.56 -40.04 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.9 mtp-105 -64.25 -60.19 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.46 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 3.6 m-20 -65.05 -11.47 39.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.574 ' HE3' ' CZ ' ' A' ' 117' ' ' PHE . 10.2 ttmt -89.29 -42.96 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.566 ' CE2' HD12 ' A' ' 47' ' ' ILE . 52.0 m-85 -106.73 -48.6 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' ARG . 13.3 tt0 -59.59 -57.69 11.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.46 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 35.8 mmtm -80.34 -23.24 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm 63.04 31.1 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -54.88 -66.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.423 ' C ' ' HB2' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -83.95 35.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.518 ' CE1' ' CD1' ' A' ' 96' ' ' LEU . 55.5 t80 -91.48 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.468 ' HB2' ' ND2' ' A' ' 100' ' ' ASN . 5.3 t70 -102.18 111.65 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -88.42 -29.88 19.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -49.66 -42.56 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -49.09 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.6 mt -40.67 -57.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -43.74 129.15 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.433 HG23 ' N ' ' A' ' 136' ' ' SER . 5.4 mp -96.29 140.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.433 ' N ' HG23 ' A' ' 135' ' ' ILE . 1.8 t -76.12 52.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -172.43 -167.2 32.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.1 Cg_endo -69.75 -24.13 30.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' PRO . 24.8 m -35.82 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.3 p -135.9 135.56 39.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.462 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -156.42 151.22 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -66.09 160.54 23.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.0 -105.1 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -73.78 173.24 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -85.99 101.37 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.33 84.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -54.18 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.97 41.23 18.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -92.34 -47.16 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LEU . 17.7 tptm -78.92 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' LYS . 7.7 tp -37.49 -41.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.04 97.72 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.92 42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -86.15 109.03 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.452 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 10.0 m-70 -50.4 -71.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' HIS . 3.3 mm100 -35.77 -69.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.413 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 4.0 tt -39.64 -54.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.83 -51.85 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.18 -38.8 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -67.66 -46.04 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.413 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 49.0 mttt -46.58 -48.87 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.443 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 16.8 mt -54.15 -57.26 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.448 HD21 ' CG ' ' A' ' 50' ' ' PHE . 46.4 mt -58.64 -20.09 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -106.33 37.81 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -130.65 31.79 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 43.87 25.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.21 -43.06 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.401 ' OD1' ' CG ' ' A' ' 90' ' ' ASN . 1.0 OUTLIER -113.19 29.48 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.47 -32.26 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 15.5 m-85 -134.41 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 30.0 t -57.24 163.84 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -2.89 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.58 -71.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 25.1 p -79.19 -4.41 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 14.4 mm-40 50.09 40.82 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -69.29 153.83 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . 0.411 ' HG3' ' CE2' ' A' ' 31' ' ' TYR . 10.3 ttpt -85.92 114.43 22.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.82 58.32 0.94 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -62.61 -71.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -55.98 167.2 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.63 127.57 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -82.4 112.44 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CE3' ' OE1' ' A' ' 81' ' ' GLN . 56.3 p-90 -72.18 -44.63 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -48.29 -45.16 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.0 mt -85.75 -41.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.34 4.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.03 163.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.448 ' CG ' HD21 ' A' ' 24' ' ' LEU . 96.4 m-85 -102.96 115.65 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.6 pt -119.76 159.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -74.87 -178.63 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.1 tt -72.27 -41.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.47 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.8 tmm_? -55.86 -65.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.0 m -49.43 -50.15 41.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -40.11 -50.68 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.47 -49.4 8.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.9 mp -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.088 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -49.38 -47.18 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.28 -45.67 80.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 44.0 m-20 -53.95 -51.24 64.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.461 ' C ' ' O ' ' A' ' 61' ' ' ASN . 31.9 mt -33.35 -52.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.05 137.01 3.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.2 m -52.48 -27.22 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.408 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.8 p-80 -78.08 -23.83 47.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.408 HG13 ' CD2' ' A' ' 65' ' ' HIS . 39.3 mt -91.35 -58.42 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -157.68 139.0 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -106.35 171.62 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 86.7 t -138.93 142.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.53 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 13.9 ptmm? -169.25 149.58 4.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.478 ' CB ' HD13 ' A' ' 74' ' ' LEU . 0.4 OUTLIER -59.28 171.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.938 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.419 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 21.5 t -101.18 -30.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -119.29 -52.61 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.478 HD13 ' CB ' ' A' ' 71' ' ' SER . 4.3 mp -46.21 -28.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.66 144.2 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -83.09 121.18 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.53 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 11.5 m0 -97.4 170.08 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -126.69 141.19 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -38.13 -45.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.16 -45.17 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.589 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 13.8 mm-40 -73.42 -41.41 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.452 ' CD1' ' HB3' ' A' ' 16' ' ' HIS . 50.0 mm -49.69 -62.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.4 tp60 -34.27 -54.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 76.1 m -40.9 -59.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLY . 94.2 mmm -36.11 -57.95 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.443 ' OE1' ' CD1' ' A' ' 23' ' ' LEU . 3.9 mp0 -63.22 -53.9 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -43.66 -43.75 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.2 tpt -99.64 -74.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' MET . . . 63.73 167.37 1.06 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 3.3 m-20 -62.87 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 m -38.53 -65.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.93 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.08 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -74.24 -37.32 63.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 11.5 mt -82.63 -3.34 56.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 128' ' ' TYR . 1.0 OUTLIER -109.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.862 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 88.9 m-85 -70.08 -50.09 44.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.409 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 36.0 mt-10 -86.87 36.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -97.8 -31.86 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -97.31 20.68 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.469 HD21 ' CD2' ' A' ' 127' ' ' TYR . 16.4 mt -68.61 145.41 97.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.981 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.69 61.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -49.48 -42.4 43.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.46 40.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.45 ' CD2' HD11 ' A' ' 101' ' ' LEU . 16.1 t80 -62.75 154.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 68.5 ttt180 -147.9 119.39 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.403 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 9.9 mtm-85 -67.06 139.02 95.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.454 ' CG ' ' HA ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.84 136.01 31.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -103.59 -37.13 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 111' ' ' ASP . 5.9 t -90.03 125.82 35.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 110' ' ' THR . 3.5 t0 -34.28 -54.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.4 mt-30 -35.51 -64.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.73 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.47 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 86.2 t -38.96 -54.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -49.14 -53.49 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -56.98 -51.37 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.538 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 71.2 t80 -46.6 -41.57 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 65.9 mt -81.9 -33.05 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -73.78 -7.45 52.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.92 -15.43 6.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.538 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 17.8 tttp -87.82 -45.6 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 33.8 m-85 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -60.87 -70.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -65.06 -21.19 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.521 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 42.2 mmtt 60.25 39.95 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -61.63 -72.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.469 ' CD2' HD21 ' A' ' 101' ' ' LEU . 7.0 m-85 -66.94 -12.96 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 96' ' ' LEU . 83.8 t80 -53.69 120.0 5.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 131' ' ' ASN . 10.2 t70 -93.41 115.02 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -15.37 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 129' ' ' ASP . 2.3 p-10 -71.22 -33.1 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -44.89 -41.48 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.514 ' CG2' ' O ' ' A' ' 133' ' ' ILE . 18.0 mt -95.09 63.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' ILE . . . -88.91 20.55 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' ALA . 20.1 pt -36.45 153.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 m 57.56 45.3 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -141.09 134.98 6.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -26.32 27.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.77 111.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 16.0 t -50.83 -55.23 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -146.79 128.36 15.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -167.12 144.19 4.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.28 160.82 13.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -143.16 147.53 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -90.52 163.06 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.72 -128.34 6.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt 45.27 40.06 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.89 -55.02 2.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.091 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.465 ' NE2' ' HG2' ' A' ' 86' ' ' GLN . 27.0 mt-30 -51.06 -50.51 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLN . 3.6 mmmp? -38.09 -36.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -72.97 -51.66 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' GLN . 12.0 p30 -83.0 134.11 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' GLN . 13.3 tt0 -120.2 -44.14 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' GLU . 2.3 pm0 -37.4 100.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLN . 40.0 m-70 -47.36 -59.95 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' HIS . 13.7 mp0 -33.88 -62.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 19' ' ' ILE . 11.1 tp -46.71 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.422 ' C ' ' O ' ' A' ' 18' ' ' LEU . 43.4 mt -35.04 -68.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.436 HD13 ' CG1' ' A' ' 72' ' ' VAL . 10.6 mt -42.94 -45.25 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -64.76 -38.87 92.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.4 mttt -59.79 -36.37 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.3 mt -67.55 -55.05 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.437 HD23 ' CD2' ' A' ' 50' ' ' PHE . 56.9 mt -48.09 -43.27 30.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -45.96 -33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -66.21 137.69 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.6 -31.68 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 91' ' ' THR . 2.5 t70 -67.35 -24.28 65.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -117.94 13.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -77.4 -24.19 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -132.48 157.71 43.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.5 t -47.05 161.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.07 2.75 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -129.07 -57.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 36' ' ' GLU . 16.2 p -100.67 9.56 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 8.3 mt-10 37.34 38.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.77 173.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -100.81 103.88 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.9 63.24 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 81.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -46.06 167.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -161.4 148.38 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -109.92 106.82 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 51.5 p-90 -68.1 -53.93 21.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 5.7 t30 -35.04 -45.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.574 HD13 ' CD1' ' A' ' 122' ' ' TYR . 79.0 mt -90.43 -45.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.416 ' C ' HG13 ' A' ' 49' ' ' VAL . . . 102.08 46.81 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.884 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.416 HG13 ' C ' ' A' ' 48' ' ' GLY . 35.9 m -152.02 150.36 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.55 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 88.4 m-85 -92.63 122.27 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.85 157.56 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.68 173.04 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.446 HG22 ' N ' ' A' ' 54' ' ' ARG . 8.6 tt -61.59 -49.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.446 ' N ' HG22 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.61 -59.7 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.3 m -56.15 -45.06 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.427 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . . . -46.64 -54.1 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.82 -51.9 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.505 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 5.1 mp -61.14 -38.6 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.84 -35.62 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 39.7 mtp180 -62.4 -46.94 86.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.7 -48.35 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.495 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 18.5 mt -32.92 -49.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.89 142.89 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 m -56.93 -15.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.505 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -88.51 -38.94 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.505 HG13 ' CD2' ' A' ' 65' ' ' HIS . 20.1 mt -76.15 -49.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -166.1 142.62 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -113.15 150.51 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.427 ' CG1' ' HB2' ' A' ' 56' ' ' ALA . 41.1 t -124.58 137.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -159.1 139.73 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 14.3 m -54.16 152.7 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.436 ' CG1' HD13 ' A' ' 20' ' ' LEU . 2.7 t -81.33 -51.71 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -95.25 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 56.2 mt -42.42 -42.03 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.3 159.96 14.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -93.76 156.67 16.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.571 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 19.0 m95 -130.19 173.69 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' ALA . 22.7 p -136.67 144.99 44.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.82 -45.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -48.59 -53.85 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.462 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.6 mp0 -72.25 -48.21 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.49 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 14.2 mm -44.95 -53.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -51.68 -43.27 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 30.5 t -53.37 -57.78 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.55 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 87.6 mmm -35.38 -53.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.49 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 7.0 mp0 -68.66 -50.13 53.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -43.6 -46.07 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.5 tpt -94.34 -73.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.76 156.72 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.4 m120 -53.29 -52.02 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASN . 31.3 m -33.25 -63.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -64.17 -50.71 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.96 -33.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -76.41 -48.56 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.58 -6.8 16.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.48 HD12 ' CE1' ' A' ' 128' ' ' TYR . 0.6 OUTLIER -110.85 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 122' ' ' TYR . 77.3 m-85 -73.93 -48.0 33.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -86.94 36.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.11 -34.85 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -95.91 23.05 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.534 HD23 ' CD1' ' A' ' 105' ' ' PHE . 23.1 mt -73.62 155.74 89.02 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.16 50.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.284 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.74 -46.03 85.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.91 43.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.534 ' CD1' HD23 ' A' ' 101' ' ' LEU . 9.3 t80 -60.32 144.04 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -143.53 130.24 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -69.71 126.84 92.77 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.79 36.33 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -101.83 -40.16 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 72.7 p -76.28 138.24 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -54.59 -44.26 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -43.81 -49.94 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 86.4 t -39.93 -58.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.69 -53.41 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 119' ' ' ARG . 18.3 m-85 -67.88 -58.46 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 11.8 t80 -36.61 -50.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.19 -40.77 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.6 mtp-105 -65.38 -59.06 4.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.415 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 7.6 m-20 -64.3 -17.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.551 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 43.2 tttt -85.43 -44.49 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.574 ' CD1' HD13 ' A' ' 47' ' ' ILE . 72.3 m-85 -99.98 -53.38 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.501 ' N ' ' O ' ' A' ' 119' ' ' ARG . 6.0 tt0 -57.78 -60.97 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.415 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.1 mmmt -76.25 -17.61 59.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.522 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 27.7 mmtm 57.78 27.95 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -47.76 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.3 m-85 -83.27 37.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.522 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 34.6 t80 -96.73 121.55 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.76 58.91 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' ASN . 21.1 pttm -43.82 -39.41 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' LYS . 1.8 m120 -37.41 -45.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 9.4 mt -59.58 -39.14 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.465 ' O ' ' C ' ' A' ' 135' ' ' ILE . . . 72.28 30.23 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 134' ' ' ALA . 3.6 mp -33.06 126.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.1 p -45.67 118.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -38.12 144.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.31 66.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.2 m -65.68 166.22 11.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 43.2 p -70.02 164.39 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -78.91 147.06 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -80.43 -48.71 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.24 -63.61 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -162.94 167.51 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t 60.73 41.89 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.35 173.64 13.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' ALA . 18.1 tptt -164.42 115.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -37.54 -59.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -44.27 -43.66 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 25.2 tp -37.67 -54.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -54.13 119.39 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.6 mt-10 -90.33 -42.45 10.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.0 pt20 -174.93 157.36 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.481 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 4.5 m-70 -53.68 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.4 mm-40 -37.48 -51.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.426 ' O ' ' C ' ' A' ' 19' ' ' ILE . 2.4 tt -57.25 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 22' ' ' LYS . 24.1 mt -35.43 -63.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.431 ' C ' ' O ' ' A' ' 19' ' ' ILE . 41.8 mt -35.84 -46.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 t -63.89 -42.57 97.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.486 ' N ' ' O ' ' A' ' 19' ' ' ILE . 14.8 mttm -57.44 -35.22 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.8 mt -68.83 -50.37 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD22 ' CG ' ' A' ' 50' ' ' PHE . 40.6 mt -54.59 -46.42 73.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.417 ' O ' ' NZ ' ' A' ' 30' ' ' LYS . 53.8 mtp180 -45.63 -39.27 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -58.82 130.85 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -47.84 -28.73 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -65.77 -36.7 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.47 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 1.5 m-20 -115.18 29.51 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 23.6 mttp -84.01 -33.83 24.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.3 m-85 -123.87 157.94 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.7 t -43.62 161.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.08 0.35 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.7 -56.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 21.5 p -100.76 5.06 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 7.9 pt-20 40.58 42.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -61.28 165.32 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -92.08 105.46 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.43 60.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.8 Cg_endo -69.75 84.27 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 0.1 OUTLIER -58.69 -75.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.449 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 72.8 m95 -46.2 164.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -160.83 121.49 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -79.77 97.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 46' ' ' ASN . 61.6 p-90 -61.1 -50.65 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.664 ' N ' ' CE3' ' A' ' 45' ' ' TRP . 4.3 t30 -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.14 -47.91 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.79 44.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG13 ' CB ' ' A' ' 93' ' ' ALA . 35.7 m -154.46 164.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.515 ' CG ' HD22 ' A' ' 24' ' ' LEU . 97.4 m-85 -100.34 125.13 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.17 155.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.4 170.28 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' HB ' ' CD1' ' A' ' 42' ' ' TRP . 8.7 tt -64.22 -34.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.434 ' HD2' ' C ' ' A' ' 54' ' ' ARG . 6.3 tmm_? -60.67 -53.06 62.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.42 -46.69 82.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -42.95 -47.29 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.41 75.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.503 ' CG2' ' OE2' ' A' ' 115' ' ' GLU . 4.5 mp -71.82 -32.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -59.84 -45.6 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.438 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.1 mtp-105 -48.71 -48.84 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.6 m-80 -49.06 -51.02 33.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.434 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 18.9 mt -34.69 -53.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.15 139.95 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -49.51 -29.96 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.573 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.2 p-80 -70.97 -33.91 70.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.573 HG13 ' CD2' ' A' ' 65' ' ' HIS . 13.9 mt -84.54 -45.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -165.5 145.81 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.468 ' HB2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mtt180 -121.63 91.72 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 72.9 t -55.25 128.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.544 ' HD2' ' CD1' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -152.35 142.4 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.411 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 58.2 m -54.1 174.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 5.8 t -109.03 -48.46 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.69 -36.25 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.46 -31.12 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -98.53 158.33 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.28 137.33 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.553 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 11.6 m0 -120.45 178.12 4.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 p -148.56 160.21 43.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.89 -43.33 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.82 -62.37 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -62.88 -45.16 93.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 26.2 mm -50.87 -61.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -45.53 -44.62 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.95 -59.14 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.8 mmm -40.15 -50.53 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 19.5 mp0 -67.68 -45.23 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.45 -61.88 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -82.39 -72.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.64 171.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -63.22 -41.76 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.0 m -40.22 -71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.5 -46.49 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.471 ' CB ' HG13 ' A' ' 49' ' ' VAL . . . -42.31 -38.91 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -69.64 -46.31 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.6 mt -69.29 -10.31 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.57 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -104.41 -68.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 97.2 m-85 -71.87 -46.02 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -92.12 36.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.26 -37.15 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.66 17.19 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.555 HD22 ' CD1' ' A' ' 105' ' ' PHE . 24.9 mt -76.81 150.19 81.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 157.69 59.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.389 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.46 -50.39 67.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.26 41.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.555 ' CD1' HD22 ' A' ' 101' ' ' LEU . 8.9 t80 -59.97 148.64 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -140.83 138.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -83.86 138.31 40.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.25 19.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -91.43 -39.79 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.6 p -82.33 131.82 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -46.07 -48.36 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.7 OUTLIER -37.32 -44.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -80.16 -61.03 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 113' ' ' ALA . 54.7 t -33.83 -61.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.503 ' OE2' ' CG2' ' A' ' 58' ' ' ILE . 3.8 tp10 -40.86 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ARG . 28.3 m-85 -68.59 -58.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.9 t80 -36.82 -48.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.34 -40.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.434 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 55.3 mtt180 -63.09 -57.18 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -22.06 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 19.2 tttp -76.65 -48.23 19.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.675 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 50.4 m-85 -99.44 -68.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -39.88 -59.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -77.35 -20.19 55.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.53 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 44.7 mmtm 62.9 25.25 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -44.12 -68.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.511 ' CD2' HD21 ' A' ' 101' ' ' LEU . 4.7 m-85 -83.56 34.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.57 ' CE1' HD11 ' A' ' 96' ' ' LEU . 62.8 t80 -89.65 122.14 32.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -92.84 65.06 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.451 ' HD2' ' N ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -52.71 -32.17 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.451 ' N ' ' HD2' ' A' ' 130' ' ' LYS . 89.1 m-20 -52.51 -40.51 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.13 -18.03 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 30.2 mm -82.45 60.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.93 140.54 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 6.0 mm 44.82 51.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.4 t -124.83 122.09 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 90.38 146.6 16.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -39.5 6.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 46.2 m -72.12 123.23 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.492 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -159.35 161.97 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -92.87 93.92 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.94 89.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -91.55 123.7 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -159.22 148.37 18.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.73 79.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.6 44.86 13.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.62 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -103.69 -34.36 8.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -58.81 -43.29 90.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -44.06 -52.24 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.08 -51.28 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.0 tt0 -102.89 92.99 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.46 ' O ' ' C ' ' A' ' 17' ' ' GLN . 16.4 m-70 -64.66 -60.35 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' HIS . 12.5 mm100 -33.07 -66.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -43.23 -52.47 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 64.0 mt -48.17 -65.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.02 -49.37 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 t -62.66 -38.42 90.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -60.56 -40.2 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.1 mt -62.94 -50.64 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.52 HD23 ' CG ' ' A' ' 50' ' ' PHE . 70.7 mt -51.37 -46.07 62.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -44.06 -40.83 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.24 131.13 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -46.51 -32.57 3.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.32 -37.9 82.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -114.37 25.24 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 43.6 mttt -81.75 -30.31 32.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.47 166.51 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.446 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.0 t -57.92 166.47 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.43 -6.46 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.49 -50.39 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 36' ' ' GLU . 18.0 p -110.82 11.76 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.446 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.7 mm-40 35.39 36.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -55.05 161.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -91.08 106.54 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.85 58.82 1.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.1 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.325 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.401 ' O ' ' O ' ' A' ' 42' ' ' TRP . 9.9 tpp85 -58.18 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' ARG . 62.6 m95 -44.08 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.98 135.33 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.051 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -91.63 109.91 21.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.455 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 48.6 p-90 -68.78 -55.63 10.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.1 p30 -37.81 -46.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 95.7 mt -83.03 -47.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.22 40.49 2.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.458 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 34.6 m -145.33 159.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.52 ' CG ' HD23 ' A' ' 24' ' ' LEU . 96.6 m-85 -98.22 122.53 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -124.47 160.35 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.3 175.65 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 15.9 tt -65.38 -43.01 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.472 ' CZ ' HG22 ' A' ' 114' ' ' VAL . 7.1 tmm_? -54.54 -60.49 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.435 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 61.7 m -55.46 -48.18 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -46.88 -49.9 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.29 12.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.2 mp -66.9 -46.34 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.108 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -45.56 -50.12 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -48.22 -47.78 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' LEU . 10.0 m-20 -54.14 -52.32 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 61' ' ' ASN . 38.3 mt -32.13 -54.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 139.66 3.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 m -52.88 -31.14 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.564 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.4 p-80 -71.19 -35.94 71.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.564 HG13 ' CD2' ' A' ' 65' ' ' HIS . 45.9 mt -79.46 -60.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 t -158.36 133.61 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -100.99 167.46 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 65.3 t -138.57 132.99 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -156.92 145.45 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.2 m -54.94 158.56 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 11.5 t -88.48 -45.67 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -105.71 -48.19 3.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.7 mt -49.18 -42.47 40.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.18 168.62 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -91.66 165.58 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.447 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 26.8 m95 -142.9 -179.89 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -149.32 149.3 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.98 -49.36 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -45.28 -43.54 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -82.11 -47.05 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 38.2 mm -52.31 -59.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.421 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 7.1 tp60 -46.19 -42.3 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.6 m -59.89 -52.3 66.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.43 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 79.0 mmm -39.03 -46.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.935 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 12.1 mp0 -75.22 -46.96 30.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -49.16 -44.57 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.0 tpt -95.47 -72.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.11 178.98 5.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.93 -40.68 65.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.6 m -40.43 -65.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 93' ' ' ALA . 57.9 mttm -63.64 -50.46 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.458 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -37.1 -41.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.16 -47.6 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.2 mt -65.87 -10.47 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.417 ' C ' HD12 ' A' ' 96' ' ' LEU . 1.6 tm? -105.46 -64.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 127' ' ' TYR . 96.1 m-85 -75.61 -47.16 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -84.53 30.52 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.67 -41.08 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -82.48 16.15 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.564 HD22 ' CD2' ' A' ' 127' ' ' TYR . 20.4 mt -82.5 142.84 46.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 140.2 42.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -44.5 -39.97 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -100.88 39.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 14.8 t80 -63.93 141.97 58.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -111.58 121.62 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -83.09 130.05 58.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.87 -40.39 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 20.8 p -88.65 156.12 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -59.25 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.456 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 12.3 pt20 -35.71 -40.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.456 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -85.32 -59.56 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.472 HG22 ' CZ ' ' A' ' 54' ' ' ARG . 95.5 t -41.82 -52.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -44.27 -52.6 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.21 -49.09 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.574 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 39.1 t80 -41.46 -51.78 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.2 mt -69.21 -38.04 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 19.9 mtp180 -71.93 -6.76 44.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -119.99 -23.55 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.574 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 25.0 ttpt -84.45 -47.11 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.569 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 56.6 m-85 -95.97 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.02 -62.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.413 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 30.3 mtpp -73.85 -23.42 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 41.9 mmtt 65.18 27.23 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -47.1 -64.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.564 ' CD2' HD22 ' A' ' 101' ' ' LEU . 4.3 m-85 -88.38 37.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 57.0 t80 -96.66 118.01 32.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.5 103.56 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -38.75 28.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -42.29 -39.48 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -45.79 -41.34 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.498 ' CG2' ' O ' ' A' ' 133' ' ' ILE . 47.4 mm 35.36 54.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.89 178.71 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 54.3 mt -38.99 110.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.8 t -149.95 149.84 30.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -92.17 -144.3 13.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 6.66 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.5 t -81.97 111.78 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -118.14 178.3 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -166.82 121.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -92.3 91.6 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.9 -147.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -129.66 143.58 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -90.95 108.62 19.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.92 58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.413 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.4 mppt? -103.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.3 -61.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -47.14 -28.55 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' LEU . 3.3 tppp? -69.13 -58.45 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.3 tt -34.09 -50.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -52.45 135.38 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.92 91.42 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -138.98 119.92 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.493 ' CG ' HG13 ' A' ' 82' ' ' ILE . 27.2 m170 -62.96 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -41.12 -54.58 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.31 -53.63 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 58.7 mt -43.96 -64.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.448 HD13 ' CG1' ' A' ' 72' ' ' VAL . 15.2 mt -38.56 -45.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -63.47 -46.57 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -39.77 58.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.1 -53.87 46.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.81 -40.72 56.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -49.69 -40.35 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.69 138.05 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -52.03 -35.42 46.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.41 -29.04 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.5 29.76 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 21.3 mmtt -85.52 -20.62 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.14 158.95 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.38 160.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.65 3.9 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -130.4 -56.25 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 19.0 p -99.53 9.72 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 40.12 34.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -59.71 147.81 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -83.76 111.93 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 40' ' ' PRO . . . 93.03 54.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.496 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 39' ' ' GLY . 53.9 Cg_endo -69.76 79.85 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -55.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -43.85 167.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.66 149.28 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -106.93 110.19 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 31.8 p-90 -70.14 -57.19 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' TRP . 9.9 t30 -35.0 -47.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.561 HD13 ' CE2' ' A' ' 122' ' ' TYR . 82.1 mt -85.08 -48.63 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.4 39.94 2.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.411 HG13 ' CB ' ' A' ' 93' ' ' ALA . 34.0 m -141.14 148.91 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.547 ' CZ ' ' HE1' ' A' ' 85' ' ' MET . 98.5 m-85 -91.85 124.86 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.4 pt -128.72 159.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.94 -174.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.65 -20.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.412 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -75.03 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 85.8 m -55.49 -42.47 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.37 -51.38 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.87 -41.9 21.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.59 -29.39 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -67.29 -49.5 64.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.428 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 6.5 mtp-105 -51.88 -40.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -57.57 -50.66 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.402 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 31.9 mt -38.05 -59.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.406 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 142.9 133.19 2.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -44.8 -30.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.584 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.8 p-80 -73.17 -35.65 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.584 HG13 ' CD2' ' A' ' 65' ' ' HIS . 74.7 mt -78.21 -52.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -156.06 132.31 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 22.7 mmm-85 -100.05 129.14 46.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 43.3 t -110.33 139.64 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.578 ' HE2' ' CD1' ' A' ' 45' ' ' TRP . 20.8 pttt -172.53 130.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t -44.28 164.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' CG1' HD13 ' A' ' 20' ' ' LEU . 2.5 t -88.52 -46.92 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -95.82 -65.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.4 mt -38.61 -33.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -101.35 163.07 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' C ' ' CD1' ' A' ' 77' ' ' TRP . 21.9 pt20 -88.41 159.05 18.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.519 ' CE2' ' HE3' ' A' ' 70' ' ' LYS . 32.4 m95 -145.1 149.79 35.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -124.79 157.02 36.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.23 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -47.04 -47.67 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.71 -41.74 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.493 HG13 ' CG ' ' A' ' 16' ' ' HIS . 31.5 mm -53.89 -59.67 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -43.08 -48.98 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.7 m -50.37 -58.65 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.547 ' HE1' ' CZ ' ' A' ' 50' ' ' PHE . 90.2 mmm -37.81 -51.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.5 mp0 -69.57 -50.33 45.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -47.63 -60.36 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.5 tpt -78.05 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.18 171.68 4.12 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.05 -37.31 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.1 m -45.43 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -59.34 -44.57 92.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.411 ' CB ' HG13 ' A' ' 49' ' ' VAL . . . -44.12 -41.19 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -74.68 -38.61 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.29 -2.75 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.407 HD12 ' CE1' ' A' ' 128' ' ' TYR . 1.2 tm? -114.3 -68.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.627 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 92.5 m-85 -68.97 -53.55 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.46 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 40.5 mt-10 -88.05 37.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.71 -35.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.01 18.72 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.568 HD23 ' CD1' ' A' ' 105' ' ' PHE . 49.2 mt -59.19 147.18 75.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.76 51.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.62 -31.1 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 0.7 OUTLIER -111.59 43.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.568 ' CD1' HD23 ' A' ' 101' ' ' LEU . 5.6 t80 -65.24 150.21 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.43 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 23.3 ttm105 -138.0 115.09 10.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . 0.401 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 7.8 ttm105 -69.02 118.05 57.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 142.32 47.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -104.16 -35.95 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 81.3 p -88.33 146.36 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.85 -40.93 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -40.42 -35.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.42 -52.01 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.4 ' O ' ' C ' ' A' ' 115' ' ' GLU . 90.7 t -44.94 -61.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' VAL . 6.4 tm-20 -38.05 -55.51 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -62.0 -55.06 33.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 38.7 t80 -41.2 -51.44 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.89 -39.84 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 49.9 mtt-85 -62.33 -57.73 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.66 -8.15 53.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.556 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 23.2 tttt -85.98 -39.56 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.627 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 78.1 m-85 -110.8 -49.14 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.9 tm-20 -58.6 -56.16 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -80.09 -20.39 45.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 34.8 mmtm 60.52 29.7 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.59 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -64.33 -21.03 66.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 44.1 t80 -47.31 124.73 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -100.48 103.32 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -80.08 -35.91 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -42.41 -45.24 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.84 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.463 ' CG2' HG12 ' A' ' 135' ' ' ILE . 48.9 mm -38.21 -51.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 135' ' ' ILE . . . 69.21 29.68 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.463 HG12 ' CG2' ' A' ' 133' ' ' ILE . 14.9 mm -31.97 -59.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 m -165.38 176.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -49.23 179.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 89.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.62 2.214 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 32.0 m -40.5 140.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 63.0 p -133.26 138.23 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.532 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -164.12 127.3 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -167.05 125.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.7 62.3 1.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -120.56 156.42 31.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -42.72 -60.29 1.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.77 141.21 9.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -164.16 145.24 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.19 81.31 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -122.27 -47.83 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -74.51 -45.85 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 tp -42.07 -43.4 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -89.58 78.72 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 97.91 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -110.68 136.75 49.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.6 m-70 -38.82 -65.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' HIS . 1.9 mp0 -33.51 -64.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ILE . 11.3 tp -44.32 -67.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' LEU . 34.1 mt -33.98 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.439 HD23 ' CZ3' ' A' ' 77' ' ' TRP . 12.1 mt -42.2 -45.28 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.422 ' N ' ' O ' ' A' ' 18' ' ' LEU . 26.9 t -64.99 -42.43 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.73 -31.3 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.1 -48.56 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 66.7 mt -50.87 -40.59 56.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -48.07 -48.07 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.39 139.53 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.91 -13.11 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -18.17 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -123.8 16.96 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -78.56 -23.61 46.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.92 167.63 17.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 23.2 t -58.69 164.34 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.13 -1.04 52.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.24 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 17.6 p -88.26 -2.56 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 4.9 mp0 49.42 35.17 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -64.03 160.89 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -91.32 117.4 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.07 56.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 82.67 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.465 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 12.6 tpp180 -62.7 -75.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 72.5 m95 -48.08 167.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 138.34 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.51 111.75 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.558 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 24.3 p-90 -75.01 -53.24 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.465 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -37.24 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.458 HG13 ' ND2' ' A' ' 46' ' ' ASN . 89.5 mt -106.37 -44.2 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.92 49.98 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 93' ' ' ALA . 9.4 m -150.62 141.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -87.67 122.61 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.3 pt -124.69 157.44 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -73.34 -175.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.464 HG22 ' N ' ' A' ' 54' ' ' ARG . 5.2 tt -74.22 -41.84 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' N ' HG22 ' A' ' 53' ' ' ILE . 7.8 tmm_? -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.412 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 94.5 m -50.56 -50.08 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -41.54 -47.91 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.61 -37.6 34.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.2 mp -73.56 -33.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.64 -37.4 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.15 -48.15 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -53.77 -48.59 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.501 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 16.0 mt -37.41 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.84 143.94 4.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.19 -15.76 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -89.95 -14.54 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.1 mt -102.95 -51.79 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.465 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 31.8 m -158.82 121.15 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.01 140.06 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 48.0 t -117.92 133.69 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.51 141.71 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.462 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 67.3 m -60.63 142.8 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.465 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 1.5 t -66.82 -34.48 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ASP . 6.7 t30 -117.95 -63.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.462 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 22.6 mt -38.19 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 73' ' ' ASN . 4.2 m-20 -111.05 161.23 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.31 147.85 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.439 ' CZ3' HD23 ' A' ' 20' ' ' LEU . 11.0 m95 -125.49 -174.97 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 p -148.68 143.96 26.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.26 -52.19 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.51 -38.09 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.558 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 90.8 mt-30 -78.05 -40.42 38.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.3 mm -55.68 -57.34 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -41.22 -48.11 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' MET . 94.2 m -52.01 -57.73 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 81.3 mmm -36.85 -57.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 8.1 mp0 -60.28 -51.93 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 tpt -72.07 -73.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.34 168.45 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.38 -42.55 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.4 m -42.03 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' ALA . 43.5 mtpt -60.21 -48.37 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' HB3' ' CG1' ' A' ' 49' ' ' VAL . . . -37.44 -37.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.81 -47.85 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 16.4 mt -69.11 -7.0 31.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -108.02 -61.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 96.5 m-85 -76.21 -38.81 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -100.12 37.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.63 -27.49 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -97.08 16.4 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.428 HD22 ' CD2' ' A' ' 127' ' ' TYR . 43.8 mt -79.89 145.13 61.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 158.02 58.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -103.35 33.64 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.539 ' CZ ' ' O ' ' A' ' 106' ' ' ARG . 23.8 t80 -57.21 162.78 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.539 ' O ' ' CZ ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -136.05 147.06 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -104.87 118.18 56.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.725 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.09 64.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -119.22 -37.17 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.76 134.2 39.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.2 m-20 -46.67 -59.48 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.2 pt20 -35.3 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -92.94 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' ALA . 77.7 t -36.11 -58.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -38.8 -49.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 119' ' ' ARG . 24.5 m-85 -66.12 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 31.5 t80 -37.3 -45.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.3 mt -68.63 -36.39 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.51 ' N ' ' O ' ' A' ' 116' ' ' PHE . 7.7 mtp-105 -69.35 -44.8 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.433 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 4.9 m-20 -72.78 -13.26 61.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.545 ' HE3' ' CE1' ' A' ' 117' ' ' PHE . 18.9 ttmt -105.63 -22.25 13.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -117.95 -47.29 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 2.9 tt0 -65.11 -69.48 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.475 ' CD ' ' HE2' ' A' ' 126' ' ' LYS . 41.8 mttm -74.61 -25.68 59.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 27.7 mmtp 63.87 44.15 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . 0.475 ' HE2' ' CD ' ' A' ' 124' ' ' LYS . 17.8 mtmt -68.26 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.428 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.2 m-85 -76.67 4.74 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 91.1 t80 -73.32 121.42 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 7.6 t0 -84.61 102.57 13.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 -16.12 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -30.89 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.99 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.462 ' O ' ' N ' ' A' ' 135' ' ' ILE . 4.6 mp -38.16 -75.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 40.2 25.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.462 ' N ' ' O ' ' A' ' 133' ' ' ILE . 2.8 pp -66.62 172.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' GLY . 84.1 p -121.13 170.39 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' SER . . . -36.04 98.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.499 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 165.06 32.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.8 p -65.54 124.48 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.5 t -145.64 132.88 20.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.468 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 m -132.31 122.73 25.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -64.24 172.8 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.2 75.52 0.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -114.48 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -105.98 85.88 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.49 146.63 4.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 144.7 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.53 40.15 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -83.22 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.72 -40.72 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.16 44.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 23.7 p-10 -114.04 102.91 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -119.29 -51.74 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -154.75 138.24 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.468 ' O ' ' C ' ' A' ' 17' ' ' GLN . 10.0 m170 -52.07 -61.15 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 16' ' ' HIS . 36.6 mm-40 -32.16 -55.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' ILE . 4.9 tt -56.73 -64.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 18' ' ' LEU . 80.5 mt -33.13 -64.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' ILE . 28.5 mt -34.24 -57.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.9 t -62.03 -40.01 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' ILE . 4.1 ttmm -55.75 -44.01 77.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 20.4 mt -58.67 -49.94 75.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 40.7 mt -50.67 -44.71 57.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -42.87 -41.76 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -60.43 135.96 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -49.35 -35.49 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.39 -38.41 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -113.84 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.95 -26.84 28.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 1.8 m-85 -130.17 158.42 39.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.8 t -51.41 165.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.72 -6.85 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -117.9 -60.25 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 16.0 p -99.77 8.94 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.443 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 9.0 mm-40 40.01 35.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -60.99 139.91 57.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -68.52 126.61 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.73 59.87 3.35 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.2 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.448 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.8 -72.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.477 ' NE1' HG12 ' A' ' 53' ' ' ILE . 52.7 m95 -43.3 162.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.436 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . . . -166.54 121.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -83.83 110.99 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD2' ' N ' ' A' ' 46' ' ' ASN . 70.0 p-90 -69.36 -46.56 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 45.4 t30 -43.73 -47.12 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.07 -48.97 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 38.88 2.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.47 HG12 ' CB ' ' A' ' 93' ' ' ALA . 34.5 m -140.19 153.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.53 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 89.2 m-85 -96.98 120.76 37.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.4 ' HA ' ' SG ' ' A' ' 32' ' ' CYS . 33.2 pt -122.69 168.15 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.35 -174.33 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.477 HG12 ' NE1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.39 -39.2 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.475 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -59.87 -67.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.475 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 90.2 m -46.89 -50.67 18.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -42.8 -49.54 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.33 -43.87 34.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.1 mp -68.07 -44.43 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.078 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -48.27 -50.42 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -47.44 -49.87 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 62' ' ' LEU . 51.8 m-20 -52.02 -52.1 53.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 61' ' ' ASN . 32.0 mt -34.17 -55.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.36 132.49 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 31.1 m -43.18 -45.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 111.099 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 66' ' ' ILE . 16.6 p-80 -58.51 -40.08 81.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 65' ' ' HIS . 12.2 mt -74.34 -54.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t -151.76 130.33 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -113.17 73.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.433 ' CG1' ' CE3' ' A' ' 42' ' ' TRP . 85.9 t -41.37 131.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -145.39 131.52 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -57.61 152.72 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . 0.448 ' CG2' ' O ' ' A' ' 41' ' ' ARG . 4.0 t -85.13 -40.79 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.85 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -41.23 -36.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 157.43 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -96.53 154.68 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -123.41 -175.07 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -146.15 148.86 33.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -49.57 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.89 -47.66 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.32 -41.55 66.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.506 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 21.6 mm -50.45 -60.3 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -42.9 -42.17 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.3 t -57.61 -51.54 69.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.53 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 79.6 mmm -44.06 -56.35 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 6.0 mp0 -63.07 -43.97 97.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -51.51 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -74.72 -69.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.23 174.26 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -68.05 -43.84 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.1 m -38.63 -67.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -60.36 -51.46 69.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.47 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -41.16 -39.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.37 -44.33 65.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 32.3 mt -70.55 -8.57 52.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.578 HD12 ' CE1' ' A' ' 128' ' ' TYR . 0.9 OUTLIER -106.88 -64.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.509 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 87.7 m-85 -73.78 -45.46 51.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.41 ' HG2' ' CD1' ' A' ' 101' ' ' LEU . 23.2 mt-10 -88.6 35.42 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.31 -44.15 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -83.35 19.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.517 HD23 ' CD2' ' A' ' 127' ' ' TYR . 25.4 mt -76.65 143.26 71.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.83 58.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.84 -42.94 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.47 40.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.49 ' CD1' HD21 ' A' ' 101' ' ' LEU . 6.6 t80 -63.36 147.02 52.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -121.75 131.66 54.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -91.75 128.65 45.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 145.02 56.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 0.0 112.355 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.17 -41.81 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t -102.99 157.15 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.5 m-20 -50.82 -43.26 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 25.0 tt0 -38.17 -34.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -106.42 -50.84 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 115' ' ' GLU . 93.2 t -46.8 -64.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 114' ' ' VAL . 30.2 tt0 -35.09 -54.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -64.48 -52.34 58.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.567 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 28.8 t80 -41.6 -49.25 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.22 -35.8 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -70.85 -8.87 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -123.64 -17.39 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.567 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 74.7 tttt -82.65 -47.15 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.509 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 68.1 m-85 -98.2 -55.17 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -64.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -70.46 -22.17 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.8 mmtm 62.77 29.83 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -52.24 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.517 ' CD2' HD23 ' A' ' 101' ' ' LEU . 2.2 m-85 -87.17 39.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.578 ' CE1' HD12 ' A' ' 96' ' ' LEU . 67.2 t80 -97.6 118.65 34.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -92.46 105.7 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -81.02 -37.73 28.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 132' ' ' ALA . 23.4 m-80 -50.35 -39.04 45.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -32.5 -56.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.469 ' C ' ' O ' ' A' ' 132' ' ' ALA . 31.2 mm 32.8 55.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . 0.412 ' C ' HD13 ' A' ' 135' ' ' ILE . . . -108.13 114.61 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.836 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . 0.412 HD13 ' C ' ' A' ' 134' ' ' ALA . 3.7 mp 43.72 54.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.0 t -111.46 138.85 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -121.5 149.91 17.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.79 19.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 t -84.71 108.02 17.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 62.0 m -152.6 156.64 39.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.459 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -124.78 -54.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -47.52 145.19 2.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.45 -171.87 32.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -78.75 93.53 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -75.97 100.97 5.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.28 137.07 6.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -103.45 138.35 40.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.63 42.96 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.93 -40.99 23.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -35.94 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.7 44.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -82.91 104.67 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -95.78 -58.93 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -127.53 151.54 48.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.49 ' O ' ' C ' ' A' ' 17' ' ' GLN . 4.8 m170 -64.44 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 16' ' ' HIS . 17.1 mm100 -30.78 -46.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -66.52 -50.87 61.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.473 ' N ' ' O ' ' A' ' 16' ' ' HIS . 57.9 mt -49.95 -54.74 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 18.4 mt -47.17 -44.37 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -66.27 -42.87 87.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -50.87 -47.67 60.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 24.1 mt -54.61 -49.34 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 11.6 mt -63.52 -26.56 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.857 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -92.85 -3.11 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -89.43 29.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 42.16 38.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -123.83 -44.96 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -112.08 30.57 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -68.17 -17.27 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.3 m-85 -138.17 149.08 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 12.8 t -41.77 147.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -80.22 8.06 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -134.96 -65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.444 ' O ' ' C ' ' A' ' 36' ' ' GLU . 17.6 p -92.61 11.1 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' CYS . 45.1 mm-40 35.0 47.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -65.89 160.08 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.051 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -89.03 102.83 15.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.19 58.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 81.19 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -73.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -50.51 167.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.28 140.25 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 106.25 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.564 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 27.8 p-90 -65.25 -56.16 14.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.468 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -33.7 -39.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.555 HD12 ' CE2' ' A' ' 122' ' ' TYR . 68.0 mt -94.99 -40.72 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' GLY . . . 97.28 31.46 6.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.417 ' CG1' ' HB1' ' A' ' 93' ' ' ALA . 16.8 m -136.99 146.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -87.33 133.4 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.2 169.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.2 p -85.5 179.01 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 tt -70.77 -35.01 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.454 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.2 tmm_? -59.57 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.454 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.5 m -53.43 -45.23 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.449 ' CB ' HG11 ' A' ' 69' ' ' VAL . . . -44.31 -52.15 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.33 -38.88 34.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.3 mp -73.11 -38.63 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.17 -49.49 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -48.94 -47.66 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 75.2 m-20 -48.52 -49.77 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 61' ' ' ASN . 24.2 mt -37.52 -54.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.76 143.73 4.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.11 -13.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -91.56 -28.38 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 37.4 mt -89.1 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 6.9 p -164.27 132.69 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -109.77 127.27 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.449 HG11 ' CB ' ' A' ' 56' ' ' ALA . 61.8 t -99.2 140.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.05 143.32 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.405 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -53.87 163.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 3.4 t -89.7 -42.08 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -102.69 -56.43 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.405 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 76.5 mt -44.33 -38.3 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.76 163.5 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -96.46 142.42 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.564 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 16.6 m95 -126.24 163.81 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 p -125.97 140.52 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -37.73 -46.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -52.17 -50.24 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 8.4 mm-40 -67.62 -38.96 84.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.7 mm -50.77 -55.38 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . 0.42 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 6.2 tp60 -38.76 -53.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 85.2 m -47.41 -58.88 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' CYS . 82.4 mmm -36.66 -44.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 16.7 mp0 -78.3 -47.73 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.11 -28.96 28.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.1 tpt -108.03 -75.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 53.94 170.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.1 m-80 -61.84 -42.22 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.9 m -40.34 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -59.51 -47.71 84.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.417 ' HB1' ' CG1' ' A' ' 49' ' ' VAL . . . -38.64 -48.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . 0.405 ' HG3' ' CD ' ' A' ' 98' ' ' GLU . 19.5 ttm180 -66.72 -40.14 88.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.25 -1.84 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.587 HD11 ' CE1' ' A' ' 128' ' ' TYR . 1.3 tm? -114.9 -69.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -70.37 -48.48 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.405 ' CD ' ' HG3' ' A' ' 94' ' ' ARG . 4.2 tt0 -83.22 35.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.52 -37.55 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . 0.401 ' CB ' ' HA ' ' A' ' 127' ' ' TYR . 39.8 m-20 -88.57 21.0 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD21 ' CD2' ' A' ' 127' ' ' TYR . 16.3 mt -74.32 154.74 88.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.89 68.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.238 . . . . 0.0 112.344 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.55 -29.3 58.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -112.8 42.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.458 ' CD2' HD12 ' A' ' 101' ' ' LEU . 15.1 t80 -63.94 144.5 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -133.25 99.67 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -48.86 123.2 11.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.538 0.685 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.91 34.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -102.28 -38.72 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.5 p -86.32 152.77 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.88 -45.81 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -39.0 -35.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -93.68 -65.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . 0.437 ' C ' ' O ' ' A' ' 113' ' ' ALA . 74.5 t -34.98 -54.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -43.05 -48.26 6.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -75.31 -51.71 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 78.7 t80 -42.55 -45.76 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 88.5 mt -69.95 -38.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 123' ' ' GLU . 34.9 mtp85 -65.47 -59.71 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -11.33 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.453 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -89.78 -43.38 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.555 ' CE2' HD12 ' A' ' 47' ' ' ILE . 64.0 m-85 -104.29 -47.22 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 8.8 tt0 -62.36 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.69 -21.54 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt 59.18 37.92 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -62.63 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.571 ' CD2' HD21 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -84.32 36.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.587 ' CE1' HD11 ' A' ' 96' ' ' LEU . 50.7 t80 -99.08 118.21 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . 0.405 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 13.6 t0 -99.76 105.44 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.412 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 5.9 ptpt -81.64 -28.21 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 132' ' ' ALA . 0.6 OUTLIER -55.58 -40.41 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.454 ' CB ' ' CD2' ' A' ' 96' ' ' LEU . . . -36.1 -63.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 5.3 mp -49.26 -58.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.43 175.88 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 66.4 mt -85.02 143.06 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.3 p -74.84 143.67 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -93.27 -158.16 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.4 m -61.12 128.47 36.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.5 m -101.79 166.41 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.3 t -113.73 161.54 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 1.6 t -52.85 87.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 37.96 90.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.12 97.0 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.879 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -96.48 93.2 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 49.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.79 119.71 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.52 40.11 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -59.88 -44.99 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -81.23 -54.6 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tp -40.66 -50.15 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.86 127.83 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -119.5 -46.56 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.545 ' H ' ' NE2' ' A' ' 15' ' ' GLN . 1.3 pm0 -105.7 138.52 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.449 ' O ' ' C ' ' A' ' 17' ' ' GLN . 21.8 m170 -70.67 -56.07 7.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' HIS . 35.5 mm-40 -33.84 -48.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.432 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 10.2 tp -64.73 -48.78 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.42 ' N ' ' O ' ' A' ' 16' ' ' HIS . 78.5 mt -45.57 -47.48 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 13.4 mt -54.22 -47.01 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -59.79 -44.12 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.4 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 1.5 mptm? -49.02 -47.84 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 35.6 mt -55.7 -55.8 28.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.446 HD23 ' CD2' ' A' ' 50' ' ' PHE . 96.7 mt -47.87 -46.18 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . 0.465 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 4.8 mmm180 -41.67 -47.22 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.77 144.39 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 50.9 mm-40 -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.71 -16.59 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -125.45 15.22 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -72.42 -23.85 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.404 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 3.8 m-85 -136.47 161.41 35.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 t -46.07 162.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.56 5.83 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.27 -49.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 36' ' ' GLU . 16.9 p -108.97 11.73 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.421 ' C ' ' O ' ' A' ' 35' ' ' CYS . 18.1 pt-20 36.58 39.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.06 156.41 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -88.4 108.37 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.29 60.32 0.96 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.81 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 13.1 tpp180 -58.63 -75.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.441 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 78.8 m95 -48.04 170.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.536 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . . . -168.2 119.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -78.85 113.04 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.559 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 46.4 p-90 -74.96 -52.09 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -43.03 -36.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . 0.567 HD12 ' CE1' ' A' ' 122' ' ' TYR . 97.9 mt -90.25 -46.49 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 41.43 2.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.454 HG11 ' CB ' ' A' ' 93' ' ' ALA . 27.9 m -150.35 157.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.536 ' CD2' ' HB3' ' A' ' 43' ' ' ALA . 90.1 m-85 -95.9 124.8 40.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 pt -128.84 155.71 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -73.04 -174.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.27 -32.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -64.98 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.7 m -45.13 -46.41 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.444 ' HB2' ' CG1' ' A' ' 69' ' ' VAL . . . -49.76 -53.51 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.83 -25.68 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.487 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.4 mp -90.01 -35.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.096 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -62.36 -34.29 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.62 -47.36 81.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.33 -48.3 74.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.494 ' N ' ' OD1' ' A' ' 61' ' ' ASN . 38.5 mt -33.35 -51.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 139.12 127.74 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -41.6 -39.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.517 ' CD2' HG13 ' A' ' 66' ' ' ILE . 26.6 p-80 -70.05 -34.1 72.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.517 HG13 ' CD2' ' A' ' 65' ' ' HIS . 74.2 mt -76.54 -54.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.415 ' HA ' ' CG ' ' A' ' 46' ' ' ASN . 5.2 m -156.11 135.58 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -110.61 138.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.444 ' CG1' ' HB2' ' A' ' 56' ' ' ALA . 59.1 t -113.11 136.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -162.93 131.22 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.5 m -46.62 166.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -92.96 -36.67 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -110.01 -50.37 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 50.3 mt -50.52 -26.65 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -115.43 167.69 10.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.2 151.27 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.559 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 14.0 m95 -125.86 177.39 6.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 65.1 p -136.5 139.34 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.07 -44.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.48 -61.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.48 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 52.7 mt-30 -65.62 -41.96 92.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.1 mm -47.91 -59.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -47.02 -28.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.64 -45.09 76.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.458 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 93.6 mmm -52.59 -47.29 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.471 ' OE1' ' CD1' ' A' ' 23' ' ' LEU . 3.4 mp0 -70.03 -46.81 64.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -61.32 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -73.68 -72.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 164.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -60.14 -37.33 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.7 m -42.97 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -57.63 -47.37 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.454 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -39.26 -41.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.821 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -72.5 -42.99 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.82 -7.99 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.519 HD13 ' CE1' ' A' ' 128' ' ' TYR . 0.8 OUTLIER -110.16 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 85.3 m-85 -70.32 -49.56 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -85.03 34.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.15 -34.31 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -95.51 20.49 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.472 HD11 ' CD2' ' A' ' 105' ' ' PHE . 20.8 mt -78.32 154.82 79.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.73 43.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.628 2.218 . . . . 0.0 112.353 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -50.01 -33.04 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.68 28.09 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.472 ' CD2' HD11 ' A' ' 101' ' ' LEU . 38.7 t80 -58.49 157.34 9.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -161.87 111.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -39.58 128.27 1.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . 0.455 ' NE2' ' HA ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -75.04 -22.39 58.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 41.3 p -83.94 125.79 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -47.93 63.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -50.68 -39.3 50.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -47.78 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 58.0 t -46.6 -62.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -41.95 -57.62 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' ARG . 15.8 m-85 -55.08 -56.46 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.562 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 36.0 t80 -34.18 -60.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 32.3 mt -60.72 -35.14 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' PHE . 26.0 mmm-85 -60.89 -21.22 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . 0.429 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.1 m-20 -118.93 -7.03 10.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.571 ' HE2' ' CE2' ' A' ' 122' ' ' TYR . 13.4 ttpt -89.04 -31.92 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.571 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 50.5 m-85 -113.84 -52.29 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 6.7 tt0 -61.35 -63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . 0.429 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 17.7 mmmt -71.45 -19.44 62.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.506 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 31.0 mmtp 56.14 29.6 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -51.54 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.444 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -82.81 37.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.519 ' CE1' HD13 ' A' ' 96' ' ' LEU . 47.9 t80 -99.09 121.85 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -97.78 99.93 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -71.61 -41.11 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 5.9 t-20 -38.7 -45.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.408 ' CB ' ' CD2' ' A' ' 96' ' ' LEU . . . -45.53 -58.36 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.2 mt -41.33 -40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -48.69 105.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 11.1 pt -91.53 176.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.4 m -115.08 -56.83 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.405 ' HA2' ' HD2' ' A' ' 138' ' ' PRO . . . -166.95 103.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . 0.405 ' HD2' ' HA2' ' A' ' 137' ' ' GLY . 53.7 Cg_endo -69.75 125.55 12.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.3 p -83.28 95.94 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.1 t -87.34 146.17 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.523 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -115.89 42.39 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -79.63 120.04 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.36 49.46 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -152.75 112.59 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.385 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 p -167.44 164.01 14.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 105.84 -142.77 15.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.3 ptpp? 37.88 26.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -91.19 42.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -83.65 -49.8 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.54 -40.59 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.77 45.11 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -92.02 127.19 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -119.23 -47.61 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -147.25 139.42 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.507 ' CG ' HG13 ' A' ' 82' ' ' ILE . 5.5 m170 -53.36 -61.34 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' HIS . 6.8 mp0 -34.23 -51.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -51.05 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 82.1 mt -50.69 -63.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 34.8 mt -43.21 -38.71 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.6 m -72.49 -43.13 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -56.91 -37.04 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.84 -52.55 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.7 mt -52.22 -49.78 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -43.52 -37.81 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.67 136.44 57.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.478 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -51.65 -36.08 44.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.18 -24.81 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -121.91 32.87 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.478 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 37.9 mmtt -85.23 -29.45 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -130.12 172.24 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.477 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.2 t -61.04 167.02 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.88 -8.77 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -116.45 -53.17 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . 0.431 ' O ' ' C ' ' A' ' 36' ' ' GLU . 16.9 p -107.22 9.7 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.477 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mt-10 35.99 43.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -63.96 163.41 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -89.18 112.98 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 62.78 1.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 80.18 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -58.85 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.461 ' CE2' HD11 ' A' ' 53' ' ' ILE . 55.5 m95 -44.57 167.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.52 135.47 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.11 95.73 9.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.569 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 22.0 p-90 -59.76 -50.41 73.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -35.98 -48.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.81 -48.76 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.84 36.54 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.417 HG12 ' CB ' ' A' ' 93' ' ' ALA . 35.7 m -139.72 152.89 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.561 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 96.2 m-85 -92.7 124.77 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 pt -128.96 161.98 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -79.57 174.87 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 HD11 ' CE2' ' A' ' 42' ' ' TRP . 5.9 tp -66.03 -41.43 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.487 ' O ' ' CD1' ' A' ' 58' ' ' ILE . 7.8 tmm_? -54.64 -56.76 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 88.4 m -61.11 -44.15 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -48.05 -49.86 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.88 -39.51 32.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.502 HG12 ' CG ' ' A' ' 115' ' ' GLU . 5.2 mp -71.52 -43.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -49.22 -51.24 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -45.56 -50.46 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.456 ' ND2' ' HA ' ' A' ' 58' ' ' ILE . 4.0 m-20 -51.51 -50.65 59.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 61' ' ' ASN . 30.8 mt -35.07 -52.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.92 134.12 3.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -47.23 -30.87 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.8 p-80 -72.3 -31.4 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' ' 65' ' ' HIS . 27.5 mt -85.11 -53.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 p -152.19 140.33 20.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.53 115.18 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 61.2 t -89.94 138.89 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 10.4 ptmm? -166.41 134.57 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.461 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 42.3 m -48.75 149.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 16.5 t -74.18 -57.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.66 -60.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.461 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 62.6 mt -39.13 -43.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.1 156.08 19.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.43 142.1 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.569 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.4 m95 -127.74 157.69 39.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ALA . 70.5 p -123.37 144.64 49.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -35.37 -43.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -49.33 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' ' CD2' ' A' ' 45' ' ' TRP . 60.9 mt-30 -61.05 -47.69 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . 0.507 HG13 ' CG ' ' A' ' 16' ' ' HIS . 33.2 mm -43.35 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -47.76 -42.16 24.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 85' ' ' MET . 21.6 t -52.03 -59.71 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' MET . . . . . 0.561 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 86.0 mmm -34.53 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 3.2 mp0 -65.64 -50.63 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.82 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 tpt -81.99 -70.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.19 171.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.97 -42.98 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.7 m -38.86 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -63.92 -45.32 89.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.417 ' CB ' HG12 ' A' ' 49' ' ' VAL . . . -42.13 -40.33 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 22.6 mt -64.09 -18.02 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.435 ' C ' HD11 ' A' ' 96' ' ' LEU . 1.1 tm? -98.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.62 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 83.8 m-85 -69.94 -51.61 31.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.414 ' OE1' ' NZ ' ' A' ' 121' ' ' LYS . 5.1 mm-40 -84.62 35.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.12 -47.11 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.053 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -86.45 21.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.571 HD23 ' CD1' ' A' ' 105' ' ' PHE . 16.0 mt -58.21 146.37 70.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 138.71 38.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -45.86 -36.5 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -102.26 38.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.571 ' CD1' HD23 ' A' ' 101' ' ' LEU . 29.4 t80 -64.18 143.8 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -152.93 106.26 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -41.16 119.69 1.81 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 127.4 14.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -90.42 -40.35 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.479 ' HB ' ' NE2' ' A' ' 112' ' ' GLN . 24.4 p -68.53 140.0 55.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' ALA . 2.9 m-20 -59.95 -63.53 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.479 ' NE2' ' HB ' ' A' ' 110' ' ' THR . 7.3 pm0 -37.24 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -85.57 -50.47 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 99.2 t -48.53 -57.01 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . 0.502 ' CG ' HG12 ' A' ' 58' ' ' ILE . 10.7 mt-10 -40.39 -49.08 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' PHE . 23.4 m-85 -68.45 -62.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.562 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 9.1 t80 -33.82 -47.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.62 -45.45 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . 0.503 ' O ' ' N ' ' A' ' 123' ' ' GLU . 41.0 mtt180 -58.38 -58.16 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.33 -19.01 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.562 ' HE3' ' CE1' ' A' ' 117' ' ' PHE . 7.5 ttmt -80.92 -46.28 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.62 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 95.8 m-85 -100.67 -52.69 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 5.7 tt0 -54.28 -64.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -76.81 -19.99 56.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 62.93 34.23 14.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.85 -64.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.61 37.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -99.98 120.7 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -93.97 103.73 15.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 131' ' ' ASN . 51.5 pttt -77.49 -39.94 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 132' ' ' ALA . 82.6 m-20 -38.35 -46.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -35.95 -45.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.47 ' CG2' ' O ' ' A' ' 133' ' ' ILE . 49.5 mm 33.33 54.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.68 178.08 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -103.45 119.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.6 t -104.23 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . 0.443 ' C ' ' H ' ' A' ' 139' ' ' SER . . . 116.97 -97.96 0.77 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 10.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' SER . . . . . 0.443 ' H ' ' C ' ' A' ' 137' ' ' GLY . 3.4 m -107.94 163.19 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t -105.4 44.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -68.74 118.33 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 p -105.29 173.01 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.98 131.49 10.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -80.93 149.57 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -54.82 169.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.55 90.73 0.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -124.74 175.91 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.66 41.48 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -90.25 -46.47 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -74.39 -49.64 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -37.77 -44.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -79.83 120.81 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -103.67 89.91 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . 0.478 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 14.1 pt20 -156.44 137.7 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.487 ' O ' ' N ' ' A' ' 19' ' ' ILE . 15.9 m-70 -47.72 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLN . . . . . 0.483 ' C ' ' O ' ' A' ' 16' ' ' HIS . 17.1 mp0 -30.63 -47.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.478 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -59.33 -51.19 70.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.487 ' N ' ' O ' ' A' ' 16' ' ' HIS . 19.0 mt -57.78 -50.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 45.2 mt -46.31 -39.59 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -66.66 -47.65 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -36.88 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 43.5 mt -64.59 -50.08 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.559 HD22 ' CD2' ' A' ' 50' ' ' PHE . 84.9 mt -56.95 -46.0 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -42.95 -39.36 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.2 135.72 55.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 10.2 tt0 -53.39 -31.34 44.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.96 -28.88 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -121.37 27.09 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.546 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 23.4 mmtt -80.32 -28.33 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' TYR . . . . . 0.546 ' CE1' ' HB3' ' A' ' 30' ' ' LYS . 1.8 m-85 -133.28 169.48 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' CYS . . . . . 0.452 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 20.2 t -54.15 166.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.25 -6.28 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.52 7.3 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLU . . . . . 0.453 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 3.9 pt-20 38.77 46.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 161.65 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -89.23 103.07 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.23 68.4 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 82.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -61.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TRP . . . . . 0.491 ' CE2' HD11 ' A' ' 53' ' ' ILE . 54.6 m95 -67.72 166.86 14.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -163.9 141.07 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -101.24 102.66 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TRP . . . . . 0.559 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 52.9 p-90 -64.51 -53.75 43.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.503 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 7.2 t30 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 67.2 mt -88.06 -39.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . 0.409 ' C ' HG12 ' A' ' 49' ' ' VAL . . . 94.94 47.97 2.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.469 HG13 ' CB ' ' A' ' 93' ' ' ALA . 24.1 m -155.96 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PHE . . . . . 0.559 ' CD2' HD22 ' A' ' 24' ' ' LEU . 88.8 m-85 -97.25 126.3 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.78 170.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.83 172.0 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.491 HD11 ' CE2' ' A' ' 42' ' ' TRP . 3.0 tp -63.98 -34.65 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.468 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -60.41 -63.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' CYS . . . . . 0.468 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.4 m -55.6 -36.93 67.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . 0.456 ' HB3' ' CG1' ' A' ' 69' ' ' VAL . . . -50.99 -50.67 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.02 -41.34 14.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 5.1 mp -69.38 -42.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 111.129 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 19.4 m-70 -52.33 -52.26 54.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtm105 -47.49 -46.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 74.0 m-20 -56.82 -50.59 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 41.4 mt -34.94 -57.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.48 134.0 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.2 -34.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.557 ' CD2' HG13 ' A' ' 66' ' ' ILE . 27.1 p-80 -68.75 -39.19 80.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ILE . . . . . 0.557 HG13 ' CD2' ' A' ' 65' ' ' HIS . 18.0 mt -74.81 -41.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.466 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 30.3 t -169.17 140.01 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -112.89 104.11 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.456 ' CG1' ' HB3' ' A' ' 56' ' ' ALA . 60.9 t -75.78 140.04 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LYS . . . . . 0.44 ' N ' HG12 ' A' ' 69' ' ' VAL . 0.0 OUTLIER -168.73 148.2 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.907 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.482 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 26.8 m -59.57 159.19 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' VAL . . . . . . . . . . . . . 38.8 t -87.17 -43.62 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.13 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -96.74 -57.72 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.482 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 98.4 mt -42.91 -62.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.84 160.35 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -96.09 140.88 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' TRP . . . . . 0.539 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 12.3 m95 -122.41 154.89 37.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.0 p -120.03 161.44 20.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.17 -43.2 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.67 -50.36 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' GLN . . . . . 0.559 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.5 mp0 -68.41 -50.01 55.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.7 mm -52.0 -51.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -50.65 -46.32 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.05 -52.15 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.8 mmm -43.98 -47.39 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 13.9 mp0 -71.27 -50.45 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.23 -59.11 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.5 tpt -81.24 -72.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.2 174.79 3.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.45 -43.46 77.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -40.42 -66.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 95' ' ' LEU . 36.3 mttm -62.37 -49.25 76.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ALA . . . . . 0.469 ' CB ' HG13 ' A' ' 49' ' ' VAL . . . -37.32 -40.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -73.52 -40.65 63.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' LEU . . . . . 0.47 ' N ' ' O ' ' A' ' 92' ' ' LYS . 41.1 mt -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.561 HD11 ' CE1' ' A' ' 128' ' ' TYR . 1.0 OUTLIER -107.28 -62.8 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 79.0 m-85 -68.69 -51.64 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.461 ' CB ' HD13 ' A' ' 101' ' ' LEU . 22.7 mt-10 -91.08 38.66 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -89.54 -40.21 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.96 19.51 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . 0.536 HD23 ' CD2' ' A' ' 127' ' ' TYR . 19.7 mt -88.83 150.73 46.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 141.81 46.23 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -46.78 -42.46 17.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.83 42.5 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' PHE . . . . . 0.498 ' CD2' HD21 ' A' ' 101' ' ' LEU . 1.8 t80 -62.72 150.82 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -132.53 108.34 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -66.53 139.71 96.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.62 33.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -38.09 10.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' ASP . 80.5 p -76.33 121.67 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.9 OUTLIER -34.26 -53.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.8 mt-30 -35.51 -67.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.57 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 93.6 t -43.38 -53.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -49.15 -52.6 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -62.03 -45.45 93.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' PHE . . . . . 0.401 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 23.5 t80 -46.53 -56.35 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 19.4 mt -69.36 -36.01 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -71.53 -8.95 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -119.91 -16.54 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' LYS . . . . . 0.401 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 17.6 ttpp -92.93 -39.19 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' TYR . . . . . 0.573 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 70.3 m-85 -98.89 -56.03 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -59.58 -68.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -64.54 -27.69 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' LYS . . . . . 0.504 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.1 mmtp 63.85 35.43 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 1.8 mtpm? -60.03 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' TYR . . . . . 0.536 ' CD2' HD23 ' A' ' 101' ' ' LEU . 9.6 m-85 -70.66 -17.21 62.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' TYR . . . . . 0.561 ' CE1' HD11 ' A' ' 96' ' ' LEU . 67.0 t80 -51.78 121.09 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -79.82 108.1 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' LYS . . . . . 0.487 ' HD2' ' N ' ' A' ' 131' ' ' ASN . 2.7 pptp? -84.73 -37.53 20.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' ASN . . . . . 0.487 ' N ' ' HD2' ' A' ' 130' ' ' LYS . 1.3 m120 -37.11 -39.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -42.86 -47.61 5.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' ILE . . . . . 0.462 ' CG2' ' O ' ' A' ' 133' ' ' ILE . 40.2 mm 34.01 54.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.06 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 7.2 mt 67.61 53.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.5 p -74.13 113.2 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.97 129.39 9.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.8 t -97.96 158.92 15.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.0 m -117.21 -51.92 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' ILE . 24.7 m170 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.0 mm-40 -31.7 -42.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -71.72 -54.92 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' HIS . 57.2 mt -41.59 -49.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.416 HD13 HG12 ' A' ' 72' ' ' VAL . 20.3 mt -48.87 -43.21 38.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 t -65.7 -46.07 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -49.58 -38.02 29.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD11 HE21 ' A' ' 86' ' ' GLN . 27.0 mt -66.95 -58.9 4.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 50' ' ' PHE . 71.2 mt -47.29 -40.92 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -51.36 -42.74 61.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.76 138.59 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.09 -27.7 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.3 -32.12 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -117.53 31.9 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 24.0 mttp -90.15 -15.07 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 30' ' ' LYS . 2.8 m-85 -138.77 154.79 48.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.8 t -46.03 159.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.71 43.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.97 -68.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 20.9 p -86.85 -0.56 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HB2' ' CD ' ' A' ' 107' ' ' ARG . 2.5 tp10 47.87 42.44 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -63.04 -179.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 39.7 mtmt -110.55 102.48 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.88 59.46 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.673 ' O ' HG21 ' A' ' 72' ' ' VAL . 11.8 tpp85 -62.71 -75.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.439 ' HE1' HD12 ' A' ' 53' ' ' ILE . 64.4 m95 -47.35 163.0 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -157.59 136.4 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.05 104.78 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 45.6 p-90 -69.19 -48.54 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 23.9 t-20 -38.99 -37.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.45 -43.36 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.9 44.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -148.37 153.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.1 m-85 -95.55 126.07 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.35 159.63 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -75.77 -175.81 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 54' ' ' ARG . 6.0 tt -72.98 -48.0 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.561 ' N ' HG23 ' A' ' 53' ' ' ILE . 6.7 tmm_? -51.53 -58.09 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.776 ' HA ' HD12 ' A' ' 58' ' ' ILE . 91.5 m -58.34 -48.24 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.2 -46.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.36 79.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 55' ' ' CYS . 10.2 mt -61.44 -47.03 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -49.24 -49.08 44.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' HB ' ' A' ' 69' ' ' VAL . 27.4 mtp85 -51.07 -43.44 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -55.24 -46.64 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 mt -42.82 -51.75 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.08 148.9 6.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.99 -8.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -94.51 -26.47 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.464 HD13 ' HG3' ' A' ' 123' ' ' GLU . 15.7 mt -92.39 -48.58 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -156.02 128.9 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -102.16 120.27 40.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' HB ' ' NH1' ' A' ' 60' ' ' ARG . 60.2 t -96.13 134.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -158.12 152.89 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.5 m -65.42 145.87 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.673 HG21 ' O ' ' A' ' 41' ' ' ARG . 2.7 t -69.27 -41.11 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ASP . 17.8 t-20 -116.15 -55.4 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.635 ' H ' HD12 ' A' ' 74' ' ' LEU . 4.0 mp -43.73 -22.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' ASN . 28.7 t0 -112.81 165.39 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -92.62 152.06 19.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.427 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 15.6 m95 -132.45 173.88 10.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 p -139.41 148.72 43.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.54 -48.27 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -49.01 -47.37 44.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.571 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 29.3 mt-30 -74.11 -37.05 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.502 HG13 ' CG ' ' A' ' 16' ' ' HIS . 22.9 mm -55.95 -61.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.7 -38.33 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.14 -50.7 72.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -43.73 -45.3 7.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.836 HE21 HD11 ' A' ' 23' ' ' LEU . 24.5 mp0 -77.92 -52.51 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -44.16 -46.13 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -96.81 -71.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 179.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -68.65 -37.2 79.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.3 m -43.26 -71.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.2 -45.52 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.4 -41.63 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -71.83 -45.12 62.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.21 -5.62 28.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 96' ' ' LEU . 1.1 tm? -111.16 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.728 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 86.9 m-85 -68.96 -48.6 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG2' HD11 ' A' ' 101' ' ' LEU . 51.4 mt-10 -84.53 33.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.97 -35.81 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -95.68 21.52 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 98' ' ' GLU . 25.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.499 ' CD ' ' HB2' ' A' ' 36' ' ' GLU . 42.6 mtt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.46 42.67 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -98.83 -38.38 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 114' ' ' VAL . 49.4 p -83.66 137.68 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 112' ' ' GLN . 5.0 p-10 -55.97 -52.19 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' ASP . 3.5 pt20 -34.73 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -91.9 -53.98 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 110' ' ' THR . 60.1 t -39.87 -58.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.437 ' CG ' HG12 ' A' ' 58' ' ' ILE . 6.9 mt-10 -40.16 -53.57 2.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 117' ' ' PHE . 17.2 m-85 -66.8 -59.66 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.4 t80 -36.36 -58.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 58' ' ' ILE . 97.9 mt -58.05 -44.8 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 123' ' ' GLU . 27.0 mtp85 -58.94 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 31.4 m-20 -61.52 -20.59 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 49.0 tttp -78.1 -44.34 26.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.728 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 71.7 m-85 -104.71 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 119' ' ' ARG . 14.5 tt0 -50.35 -55.84 13.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 14.0 mmtp -82.39 -16.62 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 33.5 mmtm 59.45 29.61 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -49.72 -68.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.403 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -84.74 38.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 58.8 t80 -99.39 120.39 39.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.786 ' HA ' HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.753 0.311 . . . . 0.0 110.814 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -48.22 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.27 -51.31 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 16' ' ' HIS . 64.0 mt -44.78 -64.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 72' ' ' VAL . 31.0 mt -39.61 -45.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -66.86 -38.19 85.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 11.7 mttm -65.33 -40.47 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 HE21 ' A' ' 86' ' ' GLN . 21.5 mt -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 50' ' ' PHE . 69.8 mt -59.01 -52.8 64.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -40.08 -35.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.05 126.69 28.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -44.32 -24.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -66.54 -41.17 89.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 31.8 m-20 -113.79 30.4 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -83.82 -26.24 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -129.34 166.98 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 16.1 t -58.15 158.46 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.73 8.42 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -134.12 -59.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 20.6 p -99.1 6.06 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mm-40 42.3 35.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.584 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -53.87 168.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -96.89 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.42 67.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.66 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.538 ' HE1' HD12 ' A' ' 53' ' ' ILE . 71.5 m95 -55.07 173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB2' ' HD1' ' A' ' 50' ' ' PHE . . . -167.7 138.27 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -96.51 107.9 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 51.6 p-90 -72.28 -45.82 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 20.8 t-20 -46.64 -40.26 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -89.05 -49.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 38.82 2.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 31.5 m -143.04 162.44 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.496 ' HD1' ' HB2' ' A' ' 43' ' ' ALA . 84.9 m-85 -103.48 118.34 36.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 pt -122.06 161.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.7 p -77.56 178.26 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.538 HD12 ' HE1' ' A' ' 42' ' ' TRP . 16.5 tt -69.41 -35.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.1 tmm_? -59.76 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 76.9 m -55.78 -48.55 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.76 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -43.57 -50.24 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.2 -42.02 16.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.0 mp -71.59 -37.62 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.075 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.51 -50.21 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -48.79 -43.7 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.7 m-80 -56.39 -51.86 66.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.4 mt -35.34 -57.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 136.61 3.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 65' ' ' HIS . 28.2 m -47.1 -41.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 48.0 p-80 -62.77 -30.85 71.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.525 HG13 ' CD2' ' A' ' 65' ' ' HIS . 16.6 mt -86.25 -62.76 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.4 m -151.75 128.84 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -99.6 153.99 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HB1' ' A' ' 56' ' ' ALA . 63.2 t -127.11 131.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 13.4 ptmm? -156.56 138.8 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 52.0 m -53.65 145.13 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.492 HG12 HD13 ' A' ' 20' ' ' LEU . 4.2 t -71.44 -58.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -63.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 27.4 mt -37.65 -54.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.7 158.74 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -93.62 141.08 28.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.5 m95 -123.84 163.65 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.1 p -133.78 169.12 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 -41.48 23.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -52.7 -52.22 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 7.3 mp0 -71.62 -49.32 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.42 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 42.9 mm -50.23 -58.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -46.69 -46.73 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.06 -47.82 81.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.7 mmm -47.83 -52.95 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.423 HE21 HD11 ' A' ' 23' ' ' LEU . 2.8 mp0 -67.71 -48.51 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.9 -63.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.27 -73.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.57 172.79 1.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.67 -44.59 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.489 ' N ' HH21 ' A' ' 94' ' ' ARG . 25.3 m -38.53 -68.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -59.58 -49.82 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.42 -38.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.489 HH21 ' N ' ' A' ' 91' ' ' THR . 59.4 mtm180 -74.56 -45.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.24 -8.32 23.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 1.2 tm? -108.36 -68.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.656 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 96.4 m-85 -69.77 -49.23 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.7 34.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.86 -30.6 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -99.86 22.14 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.7 33.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.24 -38.49 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 114' ' ' VAL . 35.7 p -82.19 144.68 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -45.54 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -39.41 -40.38 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.1 -55.07 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 110' ' ' THR . 94.5 t -39.85 -65.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -34.41 -53.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.488 ' N ' ' OE1' ' A' ' 115' ' ' GLU . 9.1 m-85 -62.62 -55.36 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 39.8 t80 -40.31 -48.96 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.04 -34.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -71.3 -10.61 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.89 -19.21 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.524 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 28.0 tttt -83.93 -29.13 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.656 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 34.6 m-85 -114.07 -59.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.76 -59.01 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -75.53 -18.12 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.58 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 38.0 mmtm 59.07 29.03 18.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -48.05 -67.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.39 38.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 41.0 t80 -94.77 123.45 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.9 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.768 ' HA ' HD12 ' A' ' 19' ' ' ILE . 2.9 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.33 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' HIS . 4.8 mm-40 -33.38 -51.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.7 -54.75 41.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 16' ' ' HIS . 55.3 mt -43.33 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.983 HD13 HG12 ' A' ' 72' ' ' VAL . 10.5 mt -46.23 -47.33 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -62.1 -40.24 95.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.48 -35.48 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HG3' ' A' ' 86' ' ' GLN . 20.3 mt -68.21 -46.2 71.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 50' ' ' PHE . 61.1 mt -55.37 -40.32 71.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -49.38 -33.29 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.81 130.91 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -48.4 -25.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 1.3 m-20 -115.04 26.38 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -86.33 -26.55 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -130.46 154.6 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.3 t -41.88 161.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.34 6.08 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.47 -54.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.1 p -102.96 8.05 39.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 107' ' ' ARG . 14.5 mm-40 42.08 33.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.668 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -54.38 165.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -97.18 108.9 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.13 59.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 81.57 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.373 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -58.36 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.58 ' NE1' HD13 ' A' ' 53' ' ' ILE . 60.2 m95 -46.83 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.507 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -165.91 125.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.71 104.59 14.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.586 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 41.9 p-90 -66.3 -53.43 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.49 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 27.0 t-20 -33.89 -41.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -95.46 -40.81 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 43.51 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 27.2 m -142.65 146.73 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -89.97 118.29 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.8 pt -125.14 154.16 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -71.71 -179.96 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD13 ' NE1' ' A' ' 42' ' ' TRP . 6.7 tp -68.65 -48.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.5 tmm_? -50.28 -60.19 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 m -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.961 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.06 -53.82 15.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.43 -37.99 3.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.49 HG21 ' HA ' ' A' ' 115' ' ' GLU . 3.9 mp -77.36 -37.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.472 ' CD2' HG21 ' A' ' 118' ' ' ILE . 4.3 m-70 -58.08 -45.11 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -50.54 -48.14 57.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' LEU . 87.5 m-20 -49.1 -49.86 39.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 66' ' ' ILE . 23.2 mt -34.38 -53.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 142.73 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.32 -31.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.58 ' CD2' HG13 ' A' ' 66' ' ' ILE . 39.4 p-80 -67.79 -30.66 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 62' ' ' LEU . 26.1 mt -87.27 -53.98 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.8 t -157.0 152.33 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.6 mtt85 -119.52 125.63 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.961 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.6 t -99.75 137.16 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.57 155.78 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -65.67 175.58 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.983 HG12 HD13 ' A' ' 20' ' ' LEU . 2.1 t -104.34 -39.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.04 -52.17 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.0 mt -50.28 -46.44 55.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.15 150.86 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -90.96 142.62 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.8 m95 -118.6 177.78 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.4 p -137.04 149.9 47.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.5 -46.98 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -45.56 -60.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.542 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 74.5 mt-30 -67.44 -44.26 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 39.8 mm -49.25 -64.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -39.15 -42.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.3 m -64.26 -51.89 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mmm -40.35 -54.52 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 8.4 mp0 -63.92 -53.43 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' ' HE3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -51.27 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 tpt -63.08 -73.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 54.08 -174.47 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.422 ' OD1' ' CG ' ' A' ' 29' ' ' ASN . 5.5 m120 -69.16 -32.89 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.4 m -49.65 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 87' ' ' ASP . 21.4 mtmt -59.29 -41.31 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.443 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -49.61 -38.87 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -75.71 -42.75 50.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.58 -4.17 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -114.27 -61.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CE1' ' CE2' ' A' ' 122' ' ' TYR . 90.4 m-85 -76.45 -49.4 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.85 35.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.45 -40.08 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -87.29 13.59 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.949 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 12.0 mtt85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.472 ' HA ' ' NE2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -72.01 -23.33 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.5 p -87.18 130.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -53.5 48.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.01 -48.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.14 -49.2 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 110' ' ' THR . 86.9 t -43.25 -59.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.49 ' HA ' HG21 ' A' ' 58' ' ' ILE . 20.3 tt0 -42.46 -54.7 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 119' ' ' ARG . 8.6 m-85 -62.0 -59.25 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 32.0 t80 -35.97 -57.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 59' ' ' HIS . 80.3 mt -58.5 -39.5 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.452 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 19.1 mtp180 -63.89 -57.34 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.0 -19.52 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 75.4 tttt -80.72 -43.54 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.428 ' CE2' ' CE1' ' A' ' 97' ' ' TYR . 58.8 m-85 -103.95 -61.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.522 ' HG3' HD13 ' A' ' 66' ' ' ILE . 9.1 tt0 -46.44 -60.72 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.62 -20.3 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.0 mmtp 62.43 26.12 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -47.08 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.23 38.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.535 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 66.5 t80 -99.91 118.52 36.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.534 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.7 mm-40 -60.68 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.28 -56.58 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.3 mt -47.58 -53.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 17' ' ' GLN . 33.7 mt -44.26 -44.3 7.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -65.24 -39.02 92.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD11 HE21 ' A' ' 86' ' ' GLN . 30.3 mt -65.63 -45.29 83.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD21 ' CD2' ' A' ' 50' ' ' PHE . 32.9 mt -59.74 -47.59 85.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 7.5 mtp-105 -44.28 -39.84 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.82 137.27 56.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 37.4 tt0 -53.11 -32.92 49.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -25.23 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -123.38 28.17 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.17 -24.7 32.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -132.07 158.61 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.4 t -46.64 162.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.69 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -134.3 -55.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -100.57 3.63 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 78.3 mm-40 43.75 37.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.583 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.41 177.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -105.13 97.33 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.16 64.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.84 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.745 2.297 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' HG21 ' A' ' 72' ' ' VAL . 11.2 tpp180 -65.35 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.513 ' NE1' HD13 ' A' ' 53' ' ' ILE . 62.3 m95 -50.73 171.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.86 122.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.62 105.14 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 48.9 p-90 -66.72 -47.69 71.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -39.83 -45.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.536 HD13 ' CE2' ' A' ' 122' ' ' TYR . 21.9 mt -89.68 -49.4 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.83 44.44 1.21 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -146.96 151.46 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CD2' HD21 ' A' ' 24' ' ' LEU . 91.8 m-85 -88.81 128.04 35.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.54 154.6 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.49 -176.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.513 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.3 tp -75.62 -36.11 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 54' ' ' ARG . 7.6 tmm_? -59.08 -48.28 82.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.836 ' HA ' HD12 ' A' ' 58' ' ' ILE . 96.4 m -69.98 -43.02 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -42.44 -48.77 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.42 -41.8 63.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 55' ' ' CYS . 11.3 mt -63.09 -42.18 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.138 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.439 ' HB2' HG21 ' A' ' 69' ' ' VAL . 15.2 m-70 -56.04 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -49.74 -47.59 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' LEU . 57.4 m-20 -53.99 -52.23 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 66' ' ' ILE . 20.4 mt -33.98 -52.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.35 147.33 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.25 -28.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.069 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.481 ' CD2' HG13 ' A' ' 66' ' ' ILE . 19.8 p-80 -73.82 -29.23 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 62' ' ' LEU . 27.0 mt -86.93 -58.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -152.67 163.62 39.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HG3' ' CZ2' ' A' ' 45' ' ' TRP . 8.2 mmm180 -119.48 168.28 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 59' ' ' HIS . 60.5 t -147.05 130.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -163.79 158.25 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 3.6 m -61.15 175.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 41' ' ' ARG . 14.6 t -109.85 -38.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.08 -37.73 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 91.1 mt -60.69 -52.05 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.38 164.4 15.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -91.87 148.89 21.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -123.63 166.96 14.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.49 ' H ' HE21 ' A' ' 81' ' ' GLN . 82.4 p -127.01 157.57 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.16 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.11 -50.28 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.49 HE21 ' H ' ' A' ' 78' ' ' THR . 7.1 mt-30 -68.05 -44.33 76.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.9 mm -54.95 -57.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -47.33 -39.28 14.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -62.92 -42.91 99.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.0 mmm -52.64 -50.3 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.8 HE21 HD11 ' A' ' 23' ' ' LEU . 24.5 mp0 -70.67 -46.77 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.75 -62.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.6 tpt -74.52 -74.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.19 173.52 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -70.21 -41.78 73.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -41.41 -69.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -60.23 -43.76 95.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -74.22 -43.65 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.96 -3.13 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -113.04 -63.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.5 -47.36 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.714 ' HG2' HD11 ' A' ' 101' ' ' LEU . 44.1 mt-10 -86.26 35.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.76 -41.8 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -89.98 21.79 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.714 HD11 ' HG2' ' A' ' 98' ' ' GLU . 22.2 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.637 0.732 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 136.87 33.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -96.41 -39.62 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.1 p -77.81 138.72 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' GLN . 11.5 p-10 -56.79 -49.27 75.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 25.1 pt20 -38.37 -43.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -81.26 -55.09 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 110' ' ' THR . 59.6 t -37.7 -57.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -44.54 -43.51 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ARG . 37.4 m-85 -75.53 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CE1' ' HD2' ' A' ' 121' ' ' LYS . 15.9 t80 -37.51 -53.57 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.54 HD12 HD13 ' A' ' 58' ' ' ILE . 89.9 mt -62.53 -38.32 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.45 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 34.1 mtt180 -63.4 -50.75 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.86 -9.75 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HD2' ' CE1' ' A' ' 117' ' ' PHE . 53.2 tttt -99.57 -20.02 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.536 ' CE2' HD13 ' A' ' 47' ' ' ILE . 52.7 m-85 -122.2 -51.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.518 ' HG3' HD13 ' A' ' 66' ' ' ILE . 12.2 tt0 -63.84 -72.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -63.36 -24.55 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.09 38.3 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -59.95 -59.84 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.16 32.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.459 ' CE1' HD11 ' A' ' 96' ' ' LEU . 79.1 t80 -95.01 118.25 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -40.34 -52.08 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 18' ' ' LEU . 1.2 tm? -55.06 -57.92 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.72 -60.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.6 mt -42.82 -47.38 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -51.68 -44.25 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.903 HD11 ' OE1' ' A' ' 86' ' ' GLN . 22.8 mt -59.82 -57.78 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -48.92 -48.27 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -43.28 -43.22 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.78 145.35 19.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 3.3 tp10 -59.36 -36.72 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.93 -22.22 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -121.48 24.97 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.3 -17.27 43.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 8.8 m-85 -141.55 151.43 43.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.469 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.9 t -38.86 159.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' C ' ' OD1' ' A' ' 34' ' ' ASP . . . -90.31 0.5 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 33' ' ' ALA . 2.3 m-20 -126.98 -61.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.4 p -95.81 4.95 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 pt-20 39.99 43.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.03 -178.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -106.92 98.44 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 62.49 0.76 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.79 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.639 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.15 -70.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' HE1' HD13 ' A' ' 53' ' ' ILE . 57.2 m95 -49.35 163.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -161.39 120.18 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.48 114.96 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 46.1 p-90 -74.9 -54.2 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.537 ' ND2' HG13 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -37.95 -32.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.537 HG13 ' ND2' ' A' ' 46' ' ' ASN . 70.4 mt -100.86 -47.43 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.94 42.44 2.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -144.52 153.42 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 97.2 m-85 -93.81 126.92 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 56' ' ' ALA . 22.4 pt -128.3 159.3 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.94 -176.68 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.533 HD13 ' HE1' ' A' ' 42' ' ' TRP . 5.4 tp -72.76 -29.34 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.1 tmm_? -66.7 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.645 ' HA ' HD12 ' A' ' 58' ' ' ILE . 95.4 m -52.33 -44.85 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -38.54 -46.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -46.37 76.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 55' ' ' CYS . 12.7 mt -59.69 -37.68 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -59.98 -46.51 89.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -57.53 -45.7 84.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.3 m-20 -53.15 -51.3 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' ASN . 24.5 mt -36.78 -55.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.31 138.16 3.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.5 m -47.67 -36.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -65.21 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 123' ' ' GLU . 11.5 mt -84.47 -61.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 74.7 m -148.53 147.71 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.821 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -118.04 149.42 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 56' ' ' ALA . 82.4 t -123.27 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -156.1 137.16 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -47.41 167.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.639 HG21 ' O ' ' A' ' 41' ' ' ARG . 8.6 t -100.87 -50.5 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -52.16 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.2 mt -48.44 -41.69 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -96.26 161.42 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -92.15 150.33 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -127.29 165.28 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.1 p -122.28 147.68 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.18 -45.26 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -52.87 -43.86 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -76.18 -34.99 59.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.408 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 9.2 mm -57.57 -51.05 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' MET . 2.7 m -46.96 -60.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' CYS . 83.2 mmm -36.65 -56.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.903 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.7 mp0 -63.48 -47.83 80.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -52.61 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.5 tpt -73.38 -75.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.62 156.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -52.54 -39.92 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -40.48 -70.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -61.52 -45.1 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.81 -41.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -70.21 -46.95 63.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 22.9 mt -68.13 -7.44 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.422 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.8 OUTLIER -107.74 -67.3 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.401 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 77.0 m-85 -71.14 -50.08 37.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.445 ' CB ' HD12 ' A' ' 101' ' ' LEU . 39.9 mt-10 -86.89 36.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -94.47 -40.44 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.9 19.33 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.445 HD12 ' CB ' ' A' ' 98' ' ' GLU . 18.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 145.62 57.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -105.93 -37.13 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 111' ' ' ASP . 34.3 p -73.34 117.89 15.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.3 OUTLIER -34.74 -58.76 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.1 mp0 -35.31 -58.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.62 -50.16 70.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.38 -40.45 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.4 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -73.77 -53.99 9.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 31.5 t80 -43.79 -61.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.416 HD12 HD13 ' A' ' 58' ' ' ILE . 76.7 mt -55.15 -38.84 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 35.3 mtp85 -61.3 -56.82 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.45 -10.04 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 57.5 tttt -91.3 -39.02 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.401 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 75.1 m-85 -108.2 -44.37 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.521 ' HG2' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -66.71 -68.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -67.37 -22.21 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.518 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.8 mmtp 59.19 37.0 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -58.24 -73.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -66.19 -18.65 65.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.518 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 85.5 t80 -46.34 126.8 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.775 0.322 . . . . 0.0 110.873 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -52.6 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -46.34 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -42.1 -56.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 72' ' ' VAL . 36.3 mt -48.41 -43.73 34.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -65.01 -44.45 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.76 -48.78 63.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HE21 ' A' ' 86' ' ' GLN . 27.9 mt -52.66 -43.86 65.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.12 -13.06 10.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -118.24 36.6 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -119.64 29.41 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 44.74 25.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 7.8 p30 -123.77 -37.84 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 47.0 m-80 -117.23 21.69 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -60.69 -29.99 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.71 165.1 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.0 t -53.57 161.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 3.19 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 121' ' ' LYS . 2.6 m-20 -126.7 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 19.1 p -88.85 -4.18 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE1' ' CZ ' ' A' ' 107' ' ' ARG . 91.7 mt-10 52.2 39.29 26.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.545 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.33 130.76 43.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.21 117.43 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.44 59.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 87.19 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.6 -70.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CE2' HD13 ' A' ' 53' ' ' ILE . 48.4 m95 -59.73 167.29 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.09 130.84 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -89.32 113.19 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 63.4 p-90 -73.04 -50.67 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -44.37 -31.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 122' ' ' TYR . 96.3 mt -97.46 -40.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.82 40.31 4.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 34.9 m -146.4 153.66 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 90.8 m-85 -96.4 118.81 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 pt -121.31 164.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -81.67 177.22 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.51 HG23 ' N ' ' A' ' 54' ' ' ARG . 5.8 tp -64.94 -48.09 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.8 -62.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' HA ' HD13 ' A' ' 58' ' ' ILE . 68.5 m -54.28 -45.54 72.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.78 -52.79 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.54 -48.78 7.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.0 mp -62.32 -44.51 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -52.58 -45.08 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 60' ' ' ARG . 29.0 mtp180 -53.25 -50.11 65.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -53.67 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 66' ' ' ILE . 33.5 mt -32.98 -50.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.04 133.56 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.5 m -47.72 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -79.61 -35.53 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 62' ' ' LEU . 36.6 mt -78.71 -54.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 51.2 m -159.64 130.49 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -98.54 152.92 19.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 56' ' ' ALA . 43.6 t -127.22 134.23 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -158.8 142.83 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 17.6 m -57.09 138.1 54.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.499 HG12 HD13 ' A' ' 20' ' ' LEU . 14.5 t -61.99 -47.22 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' LEU . 12.6 t30 -107.12 -65.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 30.2 mt -32.45 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -99.0 158.91 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.8 145.26 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.0 m95 -124.0 176.56 6.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.9 p -136.84 155.25 50.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -46.9 -50.56 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 6.4 mp0 -67.21 -49.83 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.8 mm -48.47 -62.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.6 -48.77 14.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 m -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -38.31 -47.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.645 HE21 HD11 ' A' ' 23' ' ' LEU . 14.8 mp0 -71.28 -44.84 64.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.62 -57.72 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.4 tpt -84.05 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.75 174.73 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.457 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 5.0 m-20 -68.51 -41.51 79.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.2 m -39.63 -64.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' LEU . 48.4 mttm -67.47 -47.57 69.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -39.29 -40.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -74.28 -38.61 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 92' ' ' LYS . 11.8 mt -76.65 -5.5 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.14 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 87.4 m-85 -73.61 -48.22 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -84.79 34.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.09 -37.9 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -89.14 18.39 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 18.8 ttp-105 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.554 0.692 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.6 48.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -108.05 -38.5 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.1 p -81.04 143.8 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 m-20 -52.11 -47.9 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.5 tp-100 -37.07 -44.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.84 -56.01 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 110' ' ' THR . 62.0 t -42.35 -66.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.577 ' OE2' HG23 ' A' ' 58' ' ' ILE . 5.9 tp10 -32.69 -55.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.72 -47.75 83.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 38.5 t80 -43.74 -61.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.79 -39.41 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -68.55 -8.71 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -124.83 -10.76 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 14.4 ttpt -93.73 -37.02 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 m-85 -106.62 -47.48 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.555 ' HG3' HD13 ' A' ' 66' ' ' ILE . 9.0 tt0 -65.48 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -72.54 -21.42 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.513 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 55.4 mmtt 58.17 36.85 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -57.16 -65.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 33.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.513 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 69.0 t80 -90.53 122.22 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 82' ' ' ILE . 16.0 m170 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' HIS . 10.6 mm100 -36.24 -67.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -48.9 -60.08 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 89.3 mt -38.83 -58.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.67 HD13 HG12 ' A' ' 72' ' ' VAL . 22.9 mt -42.88 -42.84 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -68.43 -38.75 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -59.85 -36.15 76.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 10.8 mt -69.64 -42.6 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD21 ' CD1' ' A' ' 50' ' ' PHE . 79.0 mt -58.67 -44.6 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -49.68 -31.41 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -67.11 135.82 54.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 11.8 tt0 -51.7 -32.66 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -33.65 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 3.7 m-20 -116.95 26.96 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 9.6 mmtp -82.75 -17.8 42.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.42 164.61 29.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.2 t -51.38 156.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.16 5.68 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.64 -60.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -94.39 6.6 48.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' CG ' ' HD3' ' A' ' 107' ' ' ARG . 7.2 mm-40 40.28 35.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.632 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.31 149.96 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -81.73 107.53 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.62 63.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.21 -70.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.69 ' NE1' HD13 ' A' ' 53' ' ' ILE . 54.5 m95 -57.25 168.91 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.04 136.68 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.8 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.582 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 43.4 p-90 -67.44 -53.79 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.513 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 5.3 p-10 -33.89 -40.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.502 HG13 ' ND2' ' A' ' 46' ' ' ASN . 22.8 mt -95.4 -45.49 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.38 41.32 2.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 29.9 m -140.97 146.54 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.666 ' CD1' HD21 ' A' ' 24' ' ' LEU . 94.7 m-85 -90.54 123.85 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.7 pt -128.4 167.12 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.63 -178.88 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.69 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.2 tp -71.14 -35.89 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.76 -62.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 86.2 m -56.07 -44.62 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -45.07 -52.69 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -39.79 7.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 115' ' ' GLU . 3.3 mp -74.43 -37.31 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.45 -42.39 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 6.7 mtp-105 -56.5 -42.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' LEU . 4.2 m-20 -55.31 -47.38 75.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 66' ' ' ILE . 31.9 mt -34.41 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.05 144.49 5.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.5 m -57.2 -16.75 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.406 ' CD2' HG13 ' A' ' 66' ' ' ILE . 24.6 p-80 -88.74 -26.94 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 62' ' ' LEU . 21.4 mt -89.85 -47.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.513 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 45.5 t -156.29 146.74 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -124.15 93.87 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 56' ' ' ALA . 60.2 t -68.73 135.98 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -155.67 148.83 24.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.9 m -65.77 133.6 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 20' ' ' LEU . 2.2 t -62.4 -34.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.89 -67.41 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.8 mt -37.94 -34.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -94.06 159.9 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -95.61 119.12 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 18.5 m95 -99.78 166.27 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' ALA . 59.2 p -133.15 151.45 51.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.61 -49.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.64 -51.07 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.582 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -62.95 -25.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 16' ' ' HIS . 18.0 mm -80.94 -29.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -67.43 -28.92 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 85' ' ' MET . 13.0 p -81.22 -43.22 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 80.8 mmm -49.27 -42.0 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.5 OUTLIER -81.71 -59.86 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -42.71 -40.14 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -98.71 -74.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 -162.76 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -98.12 -28.25 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 90.6 m -59.37 -43.14 92.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -87.98 -37.38 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -59.68 -36.17 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' LEU . 31.6 ptt180 -71.85 -47.39 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.952 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 26.4 mt -68.45 -13.22 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.414 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 1.6 tm? -97.56 -67.65 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.88 -48.59 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.35 37.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.952 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -95.92 -43.79 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -89.1 23.42 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 58.5 mtm-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.04 41.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -104.47 -40.08 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.5 t -81.71 126.02 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLN . 3.8 t70 -43.5 -50.8 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' ASP . 33.9 tt0 -37.01 -34.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.06 -49.08 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLU . 59.5 t -48.24 -63.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.467 ' CB ' HG12 ' A' ' 58' ' ' ILE . 12.8 tt0 -36.7 -56.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' ARG . 11.0 m-85 -58.97 -58.49 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 29.6 t80 -36.64 -53.24 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.8 -37.75 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.49 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 23.4 mtp85 -68.21 -59.42 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.81 -9.12 25.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 16.8 ttpp -95.3 -43.16 8.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . 3.9 tm-20 -64.29 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -73.83 -25.62 60.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 24.1 mmtp 61.45 40.13 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -61.36 -71.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.18 -18.69 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 86.4 t80 -47.96 118.22 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' A' ' 19' ' ' ILE . 19.2 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' HIS . 47.9 mm-40 -35.9 -53.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HG ' ' CE ' ' A' ' 22' ' ' LYS . 60.9 tp -55.43 -53.9 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 16' ' ' HIS . 16.5 mt -49.85 -61.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 77' ' ' TRP . 38.1 mt -41.81 -43.84 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -66.02 -40.88 91.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' CE ' ' HG ' ' A' ' 18' ' ' LEU . 13.5 mttm -55.55 -44.06 76.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.766 HD11 HE21 ' A' ' 86' ' ' GLN . 27.8 mt -57.4 -49.46 76.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 50' ' ' PHE . 79.9 mt -57.58 -42.55 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -53.32 -43.85 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -44.91 158.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.85 25.04 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' CG ' ' HB2' ' A' ' 90' ' ' ASN . 2.8 t70 -120.16 -37.07 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -106.02 27.07 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -72.66 -27.05 61.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.6 m-85 -133.71 175.1 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.7 t -61.38 165.42 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.23 -3.63 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 36.0 m-20 -120.87 -54.12 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 22.8 p -106.56 10.13 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 49.6 mm-40 36.89 39.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -59.46 156.44 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -86.63 106.57 17.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.12 64.09 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 86.56 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -62.1 162.0 10.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -159.52 120.51 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -80.76 101.57 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 69.1 p-90 -66.03 -47.89 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.427 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 17.3 t-20 -43.74 -39.08 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.788 HD11 ' OG ' ' A' ' 67' ' ' SER . 71.9 mt -90.08 -50.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.0 41.8 1.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.8 m -151.07 152.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.51 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 87.5 m-85 -93.7 125.6 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.78 169.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.49 178.25 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.2 tt -70.39 -38.14 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -56.38 -62.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 72.3 m -57.85 -40.08 79.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.671 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -47.38 -53.07 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.7 -38.84 30.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 54' ' ' ARG . 4.5 mp -72.5 -41.91 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.54 -52.23 48.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.7 mtp-105 -45.61 -50.8 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' LEU . 83.1 m-20 -48.57 -48.41 38.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 66' ' ' ILE . 33.1 mt -36.8 -52.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.35 137.73 3.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.0 m -50.58 -26.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.0 p-80 -75.47 -28.59 59.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 62' ' ' LEU . 32.8 mt -89.05 -56.75 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.788 ' OG ' HD11 ' A' ' 47' ' ' ILE . 49.4 m -149.88 130.27 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -109.88 76.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HB1' ' A' ' 56' ' ' ALA . 96.6 t -40.84 130.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -138.57 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.1 p -102.51 135.66 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 43' ' ' ALA . 3.4 t -69.79 -52.39 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 74' ' ' LEU . 62.5 t30 -89.26 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 73' ' ' ASN . 47.4 mt -32.35 -48.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -101.04 163.13 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.97 160.84 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.589 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 16.8 m95 -129.19 143.3 50.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.0 p -106.58 155.55 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.66 -46.16 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.73 -64.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.9 -47.2 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -47.3 -56.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -50.54 -44.59 56.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -52.51 -45.36 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -50.7 -58.69 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.766 HE21 HD11 ' A' ' 23' ' ' LEU . 12.3 mp0 -58.51 -46.09 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.96 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.03 -72.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 170.82 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.8 m120 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' ASN . 93.8 m -34.49 -67.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 95' ' ' LEU . 29.8 mtpt -64.11 -52.22 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -35.88 -37.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -74.34 -44.36 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' LYS . 14.4 mt -69.58 -7.61 40.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.22 -63.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' TYR . 80.2 m-85 -73.86 -46.26 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.36 36.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.07 -41.72 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -81.53 14.1 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.94 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 5.0 ptp180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.43 27.87 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -88.92 -43.69 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 p -74.36 136.34 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 p-10 -50.41 -56.05 13.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.3 pt20 -32.74 -44.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.88 -57.68 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 94.3 t -37.77 -57.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -43.63 -52.98 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.49 -56.93 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 34.6 t80 -42.63 -55.3 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.427 HD11 ' SG ' ' A' ' 55' ' ' CYS . 73.8 mt -61.15 -35.51 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 41.2 mtt180 -65.04 -57.0 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 5.5 m-20 -70.45 -13.82 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 44.8 tttt -86.33 -45.3 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.561 ' CE2' HD13 ' A' ' 47' ' ' ILE . 51.7 m-85 -98.99 -51.95 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.1 tt0 -60.53 -71.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.484 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -64.94 -24.07 67.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 62.3 32.04 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -51.95 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 3.8 m-85 -82.81 36.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -99.55 118.86 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.803 ' NE2' ' HB2' ' A' ' 79' ' ' ALA . 6.2 m170 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' HIS . 51.9 mm-40 -34.18 -62.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.96 -52.73 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 16' ' ' HIS . 36.0 mt -49.56 -59.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.5 mt -45.55 -41.67 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -72.51 -36.97 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.34 -41.45 76.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.746 HD11 HE21 ' A' ' 86' ' ' GLN . 14.8 mt -63.68 -51.18 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 50' ' ' PHE . 57.4 mt -52.07 -49.46 63.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -41.11 -42.79 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.02 140.42 37.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 17.0 tt0 -55.99 -34.85 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.27 -17.69 59.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -126.1 21.17 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 16.3 mmtp -78.67 -22.27 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -138.38 158.98 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 14.7 t -44.45 155.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.43 1.09 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -126.27 -72.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.0 p -82.42 -2.11 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 16.2 mm-40 47.37 42.99 14.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.62 176.71 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.69 105.64 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . 107.94 63.42 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' ARG . 53.8 Cg_endo -69.79 18.97 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.581 ' O ' HG21 ' A' ' 72' ' ' VAL . 13.3 mmt180 -27.18 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' PRO . 65.1 m95 -45.78 152.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -156.48 147.44 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.61 87.32 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.47 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 27.5 p-90 -46.11 -40.74 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -46.55 -40.82 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 122' ' ' TYR . 88.1 mt -97.34 -48.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.1 41.7 1.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 26.1 m -141.19 155.2 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -98.79 119.03 36.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 56' ' ' ALA . 22.6 pt -121.16 166.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.91 -175.72 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 54' ' ' ARG . 2.8 tp -73.49 -42.03 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.3 tmm_? -55.21 -66.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.855 ' HA ' HD12 ' A' ' 58' ' ' ILE . 94.3 m -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.797 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -39.34 -45.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.97 73.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.2 mt -67.43 -40.85 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.503 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 9.3 m-70 -55.95 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -53.15 -45.5 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' LEU . 97.6 m-20 -52.0 -50.96 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 17.8 mt -36.9 -53.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 132.86 132.62 3.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 m -40.86 -34.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.9 p-80 -66.87 -40.38 87.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 65' ' ' HIS . 25.1 mt -79.62 -55.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -143.78 154.21 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -133.22 98.19 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.797 HG11 ' HB1' ' A' ' 56' ' ' ALA . 58.7 t -74.65 139.24 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 11.4 ptmm? -164.58 134.39 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.61 165.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 41' ' ' ARG . 2.7 t -90.48 -40.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -104.81 -53.7 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 38.1 mt -49.12 -33.81 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.6 155.92 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -90.06 130.41 36.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 18.1 m95 -117.23 168.2 10.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 46.7 p -133.54 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.803 ' HB2' ' NE2' ' A' ' 16' ' ' HIS . . . -36.41 -44.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.65 -55.22 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -63.02 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.7 mm -50.03 -56.7 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -40.6 -49.13 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' MET . 93.7 m -49.64 -58.75 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.485 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 83.8 mmm -34.33 -59.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.746 HE21 HD11 ' A' ' 23' ' ' LEU . 19.6 mp0 -63.08 -48.51 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.91 -53.6 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.1 tpt -86.6 -73.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.83 167.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 m120 -62.17 -44.37 96.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 59.2 m -37.52 -66.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -63.13 -50.75 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.81 -44.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -69.62 -43.93 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.55 -4.87 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.536 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -110.16 -68.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 122' ' ' TYR . 83.4 m-85 -76.7 -44.77 32.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.691 ' HG3' HD11 ' A' ' 101' ' ' LEU . 23.2 tt0 -89.47 36.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.92 -34.13 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.444 ' HB2' ' C ' ' A' ' 127' ' ' TYR . 6.0 m120 -90.9 19.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.691 HD11 ' HG3' ' A' ' 98' ' ' GLU . 18.4 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.51 40.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -105.43 -37.91 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.3 p -85.06 128.75 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.8 m-20 -41.59 -47.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' ASP . 11.1 tt0 -34.82 -43.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -90.18 -52.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.8 t -42.65 -54.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.448 ' HA ' HG21 ' A' ' 58' ' ' ILE . 17.4 tt0 -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' ARG . 41.3 m-85 -76.24 -58.57 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.57 ' CZ ' ' HE3' ' A' ' 121' ' ' LYS . 25.9 t80 -34.12 -51.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.56 -40.04 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.9 mtp-105 -64.25 -60.19 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 3.6 m-20 -65.05 -11.47 39.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 117' ' ' PHE . 10.2 ttmt -89.29 -42.96 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 47' ' ' ILE . 52.0 m-85 -106.73 -48.6 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' ARG . 13.3 tt0 -59.59 -57.69 11.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 35.8 mmtm -80.34 -23.24 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm 63.04 31.1 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -54.88 -66.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.444 ' C ' ' HB2' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -83.95 35.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' A' ' 96' ' ' LEU . 55.5 t80 -91.48 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 5.3 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 10.0 m-70 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' HIS . 3.3 mm100 -35.77 -69.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 4.0 tt -39.64 -54.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.83 -51.85 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.18 -38.8 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -67.66 -46.04 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 49.0 mttt -46.58 -48.87 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.86 HD11 ' OE1' ' A' ' 86' ' ' GLN . 16.8 mt -54.15 -57.26 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 29' ' ' ASN . 46.4 mt -58.64 -20.09 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -106.33 37.81 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -130.65 31.79 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 43.87 25.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.21 -43.06 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.515 ' HB2' HD23 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -113.19 29.48 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.47 -32.26 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 15.5 m-85 -134.41 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 30.0 t -57.24 163.84 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -2.89 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.58 -71.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 25.1 p -79.19 -4.41 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 14.4 mm-40 50.09 40.82 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.29 153.83 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -85.92 114.43 22.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.82 58.32 0.94 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -62.61 -71.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -55.98 167.2 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -163.63 127.57 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -82.4 112.44 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CE3' ' OE1' ' A' ' 81' ' ' GLN . 56.3 p-90 -72.18 -44.63 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -48.29 -45.16 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.0 mt -85.75 -41.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.34 4.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.03 163.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.52 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 96.4 m-85 -102.96 115.65 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.6 pt -119.76 159.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -74.87 -178.63 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 54' ' ' ARG . 17.1 tt -72.27 -41.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.495 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.8 tmm_? -55.86 -65.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.0 m -49.43 -50.15 41.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.647 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -40.11 -50.68 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.47 -49.4 8.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.9 mp -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -49.38 -47.18 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.28 -45.67 80.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 44.0 m-20 -53.95 -51.24 64.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 66' ' ' ILE . 31.9 mt -33.35 -52.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.05 137.01 3.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.2 m -52.48 -27.22 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.8 p-80 -78.08 -23.83 47.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.546 HD13 ' HG3' ' A' ' 123' ' ' GLU . 39.3 mt -91.35 -58.42 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -157.68 139.0 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -106.35 171.62 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.647 HG11 ' HB1' ' A' ' 56' ' ' ALA . 86.7 t -138.93 142.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 13.9 ptmm? -169.25 149.58 4.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.28 171.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 43' ' ' ALA . 21.5 t -101.18 -30.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -119.29 -52.61 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 74' ' ' LEU . 4.3 mp -46.21 -28.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.66 144.2 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -83.09 121.18 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.532 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 11.5 m0 -97.4 170.08 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -126.69 141.19 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -38.13 -45.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.16 -45.17 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.589 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 13.8 mm-40 -73.42 -41.41 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' HIS . 50.0 mm -49.69 -62.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.4 tp60 -34.27 -54.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 76.1 m -40.9 -59.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLY . 94.2 mmm -36.11 -57.95 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.86 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.9 mp0 -63.22 -53.9 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -43.66 -43.75 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.2 tpt -99.64 -74.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' MET . . . 63.73 167.37 1.06 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.401 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 3.3 m-20 -62.87 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 m -38.53 -65.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.93 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.08 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.868 HH11 HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -74.24 -37.32 63.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.868 HD23 HH11 ' A' ' 94' ' ' ARG . 11.5 mt -82.63 -3.34 56.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 88.9 m-85 -70.08 -50.09 44.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 101' ' ' LEU . 36.0 mt-10 -86.87 36.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -97.8 -31.86 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -97.31 20.68 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 98' ' ' GLU . 16.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.468 ' CG ' ' HA ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.84 136.01 31.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -103.59 -37.13 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 111' ' ' ASP . 5.9 t -90.03 125.82 35.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 110' ' ' THR . 3.5 t0 -34.28 -54.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.4 mt-30 -35.51 -64.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.73 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 86.2 t -38.96 -54.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -49.14 -53.49 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -56.98 -51.37 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.542 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 71.2 t80 -46.6 -41.57 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 65.9 mt -81.9 -33.05 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -73.78 -7.45 52.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.92 -15.43 6.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 17.8 tttp -87.82 -45.6 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 33.8 m-85 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.546 ' HG3' HD13 ' A' ' 66' ' ' ILE . 3.4 tt0 -60.87 -70.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -65.06 -21.19 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 42.2 mmtt 60.25 39.95 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -61.63 -72.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.419 ' CD2' HD23 ' A' ' 101' ' ' LEU . 7.0 m-85 -66.94 -12.96 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.537 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 83.8 t80 -53.69 120.0 5.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.451 ' HA ' HD12 ' A' ' 19' ' ' ILE . 40.0 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.725 0.297 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' HIS . 13.7 mp0 -33.88 -62.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD21 ' HE3' ' A' ' 22' ' ' LYS . 11.1 tp -46.71 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 16' ' ' HIS . 43.4 mt -35.04 -68.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 72' ' ' VAL . 10.6 mt -42.94 -45.25 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -64.76 -38.87 92.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HE3' HD21 ' A' ' 18' ' ' LEU . 36.4 mttt -59.79 -36.37 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.3 mt -67.55 -55.05 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 50' ' ' PHE . 56.9 mt -48.09 -43.27 30.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -45.96 -33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -66.21 137.69 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.6 -31.68 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 91' ' ' THR . 2.5 t70 -67.35 -24.28 65.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -117.94 13.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -77.4 -24.19 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -132.48 157.71 43.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.5 t -47.05 161.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.07 2.75 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -129.07 -57.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.2 p -100.67 9.56 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 8.3 mt-10 37.34 38.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.612 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.77 173.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -100.81 103.88 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.9 63.24 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 81.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -46.06 167.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -161.4 148.38 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -109.92 106.82 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 51.5 p-90 -68.1 -53.93 21.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 5.7 t30 -35.04 -45.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.6 HD13 ' CE1' ' A' ' 122' ' ' TYR . 79.0 mt -90.43 -45.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 46.81 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.427 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.9 m -152.02 150.36 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CD2' HD21 ' A' ' 24' ' ' LEU . 88.4 m-85 -92.63 122.27 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.85 157.56 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.68 173.04 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 54' ' ' ARG . 8.6 tt -61.59 -49.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.61 -59.7 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.3 m -56.15 -45.06 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.878 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.64 -54.1 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.82 -51.9 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.533 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -61.14 -38.6 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.84 -35.62 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 39.7 mtp180 -62.4 -46.94 86.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.7 -48.35 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 18.5 mt -32.92 -49.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.89 142.89 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 m -56.93 -15.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -88.51 -38.94 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 62' ' ' LEU . 20.1 mt -76.15 -49.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -166.1 142.62 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -113.15 150.51 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.878 HG11 ' HB1' ' A' ' 56' ' ' ALA . 41.1 t -124.58 137.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -159.1 139.73 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 14.3 m -54.16 152.7 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.546 HG12 HD13 ' A' ' 20' ' ' LEU . 2.7 t -81.33 -51.71 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -95.25 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 56.2 mt -42.42 -42.03 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.3 159.96 14.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -93.76 156.67 16.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.591 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 19.0 m95 -130.19 173.69 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' ALA . 22.7 p -136.67 144.99 44.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.82 -45.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -48.59 -53.85 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.6 mp0 -72.25 -48.21 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 82' ' ' ILE . 14.2 mm -44.95 -53.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -51.68 -43.27 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 30.5 t -53.37 -57.78 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' CYS . 87.6 mmm -35.38 -53.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -68.66 -50.13 53.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -43.6 -46.07 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.5 tpt -94.34 -73.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.76 156.72 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.4 m120 -53.29 -52.02 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASN . 31.3 m -33.25 -63.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -64.17 -50.71 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.427 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -41.96 -33.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -76.41 -48.56 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.58 -6.8 16.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.469 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -110.85 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 122' ' ' TYR . 77.3 m-85 -73.93 -48.0 33.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.467 ' HG2' HD11 ' A' ' 101' ' ' LEU . 18.1 mt-10 -86.94 36.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.11 -34.85 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -95.91 23.05 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 98' ' ' GLU . 23.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.79 36.33 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -101.83 -40.16 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.7 p -76.28 138.24 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -54.59 -44.26 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -43.81 -49.94 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 110' ' ' THR . 86.4 t -39.93 -58.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.69 -53.41 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 119' ' ' ARG . 18.3 m-85 -67.88 -58.46 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 11.8 t80 -36.61 -50.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.19 -40.77 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.6 mtp-105 -65.38 -59.06 4.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 7.6 m-20 -64.3 -17.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 43.2 tttt -85.43 -44.49 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.6 ' CE1' HD13 ' A' ' 47' ' ' ILE . 72.3 m-85 -99.98 -53.38 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.601 ' HG3' HD13 ' A' ' 66' ' ' ILE . 6.0 tt0 -57.78 -60.97 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.1 mmmt -76.25 -17.61 59.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.529 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 27.7 mmtm 57.78 27.95 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -47.76 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.3 m-85 -83.27 37.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.529 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 34.6 t80 -96.73 121.55 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.566 ' HA ' HD12 ' A' ' 19' ' ' ILE . 4.5 m-70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.4 mm-40 -37.48 -51.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.538 HD22 ' HE3' ' A' ' 22' ' ' LYS . 2.4 tt -57.25 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 16' ' ' HIS . 24.1 mt -35.43 -63.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.594 HD13 HG12 ' A' ' 72' ' ' VAL . 41.8 mt -35.84 -46.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 t -63.89 -42.57 97.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HE3' HD22 ' A' ' 18' ' ' LEU . 14.8 mttm -57.44 -35.22 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.775 HD11 HE21 ' A' ' 86' ' ' GLN . 24.8 mt -68.83 -50.37 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.8 HD21 ' CD2' ' A' ' 50' ' ' PHE . 40.6 mt -54.59 -46.42 73.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -45.63 -39.27 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -58.82 130.85 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 27' ' ' GLU . 1.2 pm0 -47.84 -28.73 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -65.77 -36.7 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 1.5 m-20 -115.18 29.51 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 23.6 mttp -84.01 -33.83 24.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.3 m-85 -123.87 157.94 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.7 t -43.62 161.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.08 0.35 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.7 -56.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 21.5 p -100.76 5.06 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 7.9 pt-20 40.58 42.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -61.28 165.32 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -92.08 105.46 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.43 60.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.8 Cg_endo -69.75 84.27 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.492 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.69 -75.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.462 ' HE1' HD12 ' A' ' 53' ' ' ILE . 72.8 m95 -46.2 164.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -160.83 121.49 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -79.77 97.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 46' ' ' ASN . 61.6 p-90 -61.1 -50.65 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.664 ' N ' ' CE3' ' A' ' 45' ' ' TRP . 25.8 t-20 -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.14 -47.91 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.79 44.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 90' ' ' ASN . 35.7 m -154.46 164.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.8 ' CD2' HD21 ' A' ' 24' ' ' LEU . 97.4 m-85 -100.34 125.13 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.17 155.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.4 170.28 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HE1' ' A' ' 42' ' ' TRP . 8.7 tt -64.22 -34.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' HD12 ' A' ' 58' ' ' ILE . 6.3 tmm_? -60.67 -53.06 62.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.42 -46.69 82.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.811 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -42.95 -47.29 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.41 75.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.952 HG23 ' OE2' ' A' ' 115' ' ' GLU . 4.5 mp -71.82 -32.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -59.84 -45.6 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.1 mtp-105 -48.71 -48.84 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.6 m-80 -49.06 -51.02 33.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 66' ' ' ILE . 18.9 mt -34.69 -53.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.15 139.95 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -49.51 -29.96 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.2 p-80 -70.97 -33.91 70.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.586 HD13 ' HG3' ' A' ' 123' ' ' GLU . 13.9 mt -84.54 -45.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -165.5 145.81 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mtt180 -121.63 91.72 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.811 HG21 ' O ' ' A' ' 56' ' ' ALA . 72.9 t -55.25 128.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HD2' ' CD1' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -152.35 142.4 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 58.2 m -54.1 174.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.594 HG12 HD13 ' A' ' 20' ' ' LEU . 5.8 t -109.03 -48.46 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.69 -36.25 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.46 -31.12 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -98.53 158.33 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.28 137.33 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 11.6 m0 -120.45 178.12 4.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 p -148.56 160.21 43.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.89 -43.33 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.82 -62.37 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -62.88 -45.16 93.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 82' ' ' ILE . 26.2 mm -50.87 -61.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -45.53 -44.62 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.95 -59.14 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.8 mmm -40.15 -50.53 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.775 HE21 HD11 ' A' ' 23' ' ' LEU . 19.5 mp0 -67.68 -45.23 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.45 -61.88 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -82.39 -72.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.64 171.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.459 ' HA ' HG12 ' A' ' 49' ' ' VAL . 1.5 m-20 -63.22 -41.76 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.0 m -40.22 -71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.5 -46.49 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -42.31 -38.91 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -69.64 -46.31 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 17.6 mt -69.29 -10.31 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -104.41 -68.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 97.2 m-85 -71.87 -46.02 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -92.12 36.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -102.26 -37.15 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.66 17.19 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 127' ' ' TYR . 24.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.25 19.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -91.43 -39.79 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.6 p -82.33 131.82 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -46.07 -48.36 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.7 OUTLIER -37.32 -44.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -80.16 -61.03 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 113' ' ' ALA . 54.7 t -33.83 -61.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.952 ' OE2' HG23 ' A' ' 58' ' ' ILE . 3.8 tp10 -40.86 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ARG . 28.3 m-85 -68.59 -58.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.9 t80 -36.82 -48.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.34 -40.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.456 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 55.3 mtt180 -63.09 -57.18 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -22.06 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 19.2 tttp -76.65 -48.23 19.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.675 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 50.4 m-85 -99.44 -68.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HG3' HD13 ' A' ' 66' ' ' ILE . 13.2 tt0 -39.88 -59.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -77.35 -20.19 55.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 44.7 mmtm 62.9 25.25 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -44.12 -68.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 101' ' ' LEU . 4.7 m-85 -83.56 34.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 62.8 t80 -89.65 122.14 32.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.707 ' HA ' HD12 ' A' ' 19' ' ' ILE . 16.4 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.707 0.289 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' HIS . 45.8 mm-40 -33.07 -66.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -43.23 -52.47 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 16' ' ' HIS . 64.0 mt -48.17 -65.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.02 -49.37 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 t -62.66 -38.42 90.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -60.56 -40.2 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.1 mt -62.94 -50.64 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD21 ' CD2' ' A' ' 50' ' ' PHE . 70.7 mt -51.37 -46.07 62.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -44.06 -40.83 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.24 131.13 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -46.51 -32.57 3.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.32 -37.9 82.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -114.37 25.24 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 43.6 mttt -81.75 -30.31 32.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.47 166.51 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.0 t -57.92 166.47 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.43 -6.46 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.49 -50.39 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.0 p -110.82 11.76 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.7 mm-40 35.39 36.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.05 161.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -91.08 106.54 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.85 58.82 1.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.1 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.325 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 72' ' ' VAL . 9.9 tpp85 -58.18 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' ARG . 62.6 m95 -44.08 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.98 135.33 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.051 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -91.63 109.91 21.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 48.6 p-90 -68.78 -55.63 10.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.1 p30 -37.81 -46.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 95.7 mt -83.03 -47.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.22 40.49 2.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.511 HG11 ' CB ' ' A' ' 93' ' ' ALA . 34.6 m -145.33 159.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.629 ' CD2' HD21 ' A' ' 24' ' ' LEU . 96.6 m-85 -98.22 122.53 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -124.47 160.35 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.3 175.65 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 54' ' ' ARG . 15.9 tt -65.38 -43.01 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.569 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.1 tmm_? -54.54 -60.49 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 61.7 m -55.46 -48.18 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.676 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.88 -49.9 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.29 12.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -66.9 -46.34 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -45.56 -50.12 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -48.22 -47.78 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' LEU . 10.0 m-20 -54.14 -52.32 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 61' ' ' ASN . 38.3 mt -32.13 -54.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 139.66 3.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 m -52.88 -31.14 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.4 p-80 -71.19 -35.94 71.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' ' 65' ' ' HIS . 45.9 mt -79.46 -60.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 t -158.36 133.61 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -100.99 167.46 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.676 HG11 ' HB1' ' A' ' 56' ' ' ALA . 65.3 t -138.57 132.99 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -156.92 145.45 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.2 m -54.94 158.56 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 41' ' ' ARG . 11.5 t -88.48 -45.67 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 1.5 p30 -105.71 -48.19 3.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.7 mt -49.18 -42.47 40.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.18 168.62 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -91.66 165.58 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 26.8 m95 -142.9 -179.89 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -149.32 149.3 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.98 -49.36 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -45.28 -43.54 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -82.11 -47.05 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 38.2 mm -52.31 -59.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.445 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 3.9 tp-100 -46.19 -42.3 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.6 m -59.89 -52.3 66.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 79.0 mmm -39.03 -46.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.445 ' NE2' ' HA ' ' A' ' 83' ' ' GLN . 2.1 mp0 -75.22 -46.96 30.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -49.16 -44.57 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.0 tpt -95.47 -72.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.11 178.98 5.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.93 -40.68 65.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.6 m -40.43 -65.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 93' ' ' ALA . 57.9 mttm -63.64 -50.46 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.511 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -37.1 -41.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.16 -47.6 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 20.2 mt -65.87 -10.47 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.6 tm? -105.46 -64.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 127' ' ' TYR . 96.1 m-85 -75.61 -47.16 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -84.53 30.52 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -99.67 -41.08 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.48 16.15 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 127' ' ' TYR . 20.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.407 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -101.87 -40.39 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 114' ' ' VAL . 20.8 p -88.65 156.12 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -59.25 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 12.3 pt20 -35.71 -40.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -85.32 -59.56 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 95.5 t -41.82 -52.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -44.27 -52.6 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.21 -49.09 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.597 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 39.1 t80 -41.46 -51.78 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.2 mt -69.21 -38.04 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 19.9 mtp180 -71.93 -6.76 44.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -119.99 -23.55 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 25.0 ttpt -84.45 -47.11 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 56.6 m-85 -95.97 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.48 ' HG3' HD13 ' A' ' 66' ' ' ILE . 2.4 tt0 -48.02 -62.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 30.3 mtpp -73.85 -23.42 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.534 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 41.9 mmtt 65.18 27.23 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -47.1 -64.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 101' ' ' LEU . 4.3 m-85 -88.38 37.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.534 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 57.0 t80 -96.66 118.01 32.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.67 ' HA ' HD12 ' A' ' 19' ' ' ILE . 27.2 m170 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.784 0.326 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -41.12 -54.58 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.31 -53.63 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 16' ' ' HIS . 58.7 mt -43.96 -64.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD13 HG12 ' A' ' 72' ' ' VAL . 15.2 mt -38.56 -45.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -63.47 -46.57 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -39.77 58.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.1 -53.87 46.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.81 -40.72 56.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -49.69 -40.35 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.69 138.05 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 48.8 mt-10 -52.03 -35.42 46.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.41 -29.04 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.5 29.76 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 21.3 mmtt -85.52 -20.62 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.14 158.95 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.38 160.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.65 3.9 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -130.4 -56.25 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 19.0 p -99.53 9.72 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 40.12 34.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.673 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -59.71 147.81 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -83.76 111.93 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 40' ' ' PRO . . . 93.03 54.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.496 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 39' ' ' GLY . 53.9 Cg_endo -69.76 79.85 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -55.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -43.85 167.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.66 149.28 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -106.93 110.19 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 31.8 p-90 -70.14 -57.19 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' TRP . 17.6 t-20 -35.0 -47.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.608 HD13 ' CE2' ' A' ' 122' ' ' TYR . 82.1 mt -85.08 -48.63 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.4 39.94 2.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.14 148.91 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.467 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 98.5 m-85 -91.85 124.86 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.4 pt -128.72 159.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.94 -174.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.65 -20.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' NH2' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -75.03 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 85.8 m -55.49 -42.47 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.76 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.37 -51.38 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.87 -41.9 21.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.59 -29.39 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -67.29 -49.5 64.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 6.5 mtp-105 -51.88 -40.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -57.57 -50.66 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 31.9 mt -38.05 -59.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 142.9 133.19 2.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -44.8 -30.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.595 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.8 p-80 -73.17 -35.65 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.595 HG13 ' CD2' ' A' ' 65' ' ' HIS . 74.7 mt -78.21 -52.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -156.06 132.31 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HB3' ' NE1' ' A' ' 45' ' ' TRP . 22.7 mmm-85 -100.05 129.14 46.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HB1' ' A' ' 56' ' ' ALA . 43.3 t -110.33 139.64 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 45' ' ' TRP . 20.8 pttt -172.53 130.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t -44.28 164.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 20' ' ' LEU . 2.5 t -88.52 -46.92 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -95.82 -65.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.4 mt -38.61 -33.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -101.35 163.07 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' C ' ' CD1' ' A' ' 77' ' ' TRP . 21.9 pt20 -88.41 159.05 18.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.532 ' CE2' ' HE3' ' A' ' 70' ' ' LYS . 32.4 m95 -145.1 149.79 35.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -124.79 157.02 36.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.23 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -47.04 -47.67 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.71 -41.74 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.749 HG22 HE22 ' A' ' 86' ' ' GLN . 31.5 mm -53.89 -59.67 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -43.08 -48.98 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.7 m -50.37 -58.65 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.467 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 90.2 mmm -37.81 -51.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.749 HE22 HG22 ' A' ' 82' ' ' ILE . 1.7 mp0 -69.57 -50.33 45.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -47.63 -60.36 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.5 tpt -78.05 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.18 171.68 4.12 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.05 -37.31 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.1 m -45.43 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -59.34 -44.57 92.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.12 -41.19 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -74.68 -38.61 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.29 -2.75 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -114.3 -68.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.627 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 92.5 m-85 -68.97 -53.55 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 40.5 mt-10 -88.05 37.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.71 -35.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.01 18.72 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 127' ' ' TYR . 49.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 7.8 ttm105 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 142.32 47.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -104.16 -35.95 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 114' ' ' VAL . 81.3 p -88.33 146.36 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.85 -40.93 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -40.42 -35.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.42 -52.01 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.456 HG21 ' NH2' ' A' ' 54' ' ' ARG . 90.7 t -44.94 -61.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' VAL . 6.4 tm-20 -38.05 -55.51 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -62.0 -55.06 33.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 38.7 t80 -41.2 -51.44 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.89 -39.84 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 49.9 mtt-85 -62.33 -57.73 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.66 -8.15 53.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 23.2 tttt -85.98 -39.56 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.627 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 78.1 m-85 -110.8 -49.14 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.9 tm-20 -58.6 -56.16 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -80.09 -20.39 45.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 34.8 mmtm 60.52 29.7 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.59 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' A' ' 101' ' ' LEU . 6.3 m-85 -64.33 -21.03 66.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 44.1 t80 -47.31 124.73 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.6 m-70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' HIS . 1.9 mp0 -33.51 -64.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ILE . 11.3 tp -44.32 -67.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' LEU . 34.1 mt -33.98 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 12.1 mt -42.2 -45.28 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' LEU . 26.9 t -64.99 -42.43 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -54.73 -31.3 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.1 -48.56 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 50' ' ' PHE . 66.7 mt -50.87 -40.59 56.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -48.07 -48.07 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.39 139.53 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.91 -13.11 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -18.17 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -123.8 16.96 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -78.56 -23.61 46.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.92 167.63 17.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.468 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 23.2 t -58.69 164.34 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.13 -1.04 52.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.24 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -88.26 -2.56 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 4.9 mp0 49.42 35.17 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.606 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -64.03 160.89 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -91.32 117.4 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.07 56.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 82.67 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' HG21 ' A' ' 72' ' ' VAL . 12.6 tpp180 -62.7 -75.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.476 ' HE1' HD12 ' A' ' 53' ' ' ILE . 72.5 m95 -48.08 167.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 138.34 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.51 111.75 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 24.3 p-90 -75.01 -53.24 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -37.24 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.611 HD11 ' OG ' ' A' ' 67' ' ' SER . 89.5 mt -106.37 -44.2 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.92 49.98 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 m -150.62 141.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD2' HD21 ' A' ' 24' ' ' LEU . 61.2 m-85 -87.67 122.61 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 56' ' ' ALA . 21.3 pt -124.69 157.44 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -73.34 -175.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.476 HD12 ' HE1' ' A' ' 42' ' ' TRP . 5.2 tt -74.22 -41.84 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 94.5 m -50.56 -50.08 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -41.54 -47.91 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.61 -37.6 34.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.2 mp -73.56 -33.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -62.64 -37.4 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.15 -48.15 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -53.77 -48.59 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD22 ' HG2' ' A' ' 119' ' ' ARG . 16.0 mt -37.41 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.84 143.94 4.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.19 -15.76 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -89.95 -14.54 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.1 mt -102.95 -51.79 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.611 ' OG ' HD11 ' A' ' 47' ' ' ILE . 31.8 m -158.82 121.15 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.01 140.06 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.527 HG11 ' HB1' ' A' ' 56' ' ' ALA . 48.0 t -117.92 133.69 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.51 141.71 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 67.3 m -60.63 142.8 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG12 HD13 ' A' ' 20' ' ' LEU . 1.5 t -66.82 -34.48 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ASP . 6.7 t30 -117.95 -63.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 22.6 mt -38.19 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 73' ' ' ASN . 4.2 m-20 -111.05 161.23 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.31 147.85 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.585 ' CZ3' HD21 ' A' ' 20' ' ' LEU . 11.0 m95 -125.49 -174.97 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 p -148.68 143.96 26.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.26 -52.19 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.51 -38.09 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.553 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 90.8 mt-30 -78.05 -40.42 38.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.584 HG22 HE22 ' A' ' 86' ' ' GLN . 44.3 mm -55.68 -57.34 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -41.22 -48.11 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' MET . 94.2 m -52.01 -57.73 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 81.3 mmm -36.85 -57.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.584 HE22 HG22 ' A' ' 82' ' ' ILE . 1.4 mp0 -60.28 -51.93 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 tpt -72.07 -73.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.34 168.45 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.38 -42.55 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.4 m -42.03 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' ALA . 43.5 mtpt -60.21 -48.37 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -37.44 -37.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.81 -47.85 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.667 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 16.4 mt -69.11 -7.0 31.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -108.02 -61.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.433 ' OH ' HG23 ' A' ' 47' ' ' ILE . 96.5 m-85 -76.21 -38.81 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.578 ' HG2' ' HZ2' ' A' ' 121' ' ' LYS . 36.7 mt-10 -100.12 37.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -100.63 -27.49 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -97.08 16.4 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.58 HD11 ' NZ ' ' A' ' 121' ' ' LYS . 43.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.621 0.725 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.09 64.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -119.22 -37.17 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.76 134.2 39.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.2 m-20 -46.67 -59.48 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.2 pt20 -35.3 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -92.94 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' ALA . 77.7 t -36.11 -58.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -38.8 -49.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 119' ' ' ARG . 24.5 m-85 -66.12 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.552 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 31.5 t80 -37.3 -45.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.3 mt -68.63 -36.39 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.511 ' HG2' HD22 ' A' ' 62' ' ' LEU . 7.7 mtp-105 -69.35 -44.8 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 4.9 m-20 -72.78 -13.26 61.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.58 ' NZ ' HD11 ' A' ' 101' ' ' LEU . 18.9 ttmt -105.63 -22.25 13.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -117.95 -47.29 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 2.9 tt0 -65.11 -69.48 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.491 ' CD ' ' HE2' ' A' ' 126' ' ' LYS . 41.8 mttm -74.61 -25.68 59.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 27.7 mmtp 63.87 44.15 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.491 ' HE2' ' CD ' ' A' ' 124' ' ' LYS . 17.8 mtmt -68.26 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -76.67 4.74 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.408 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 91.1 t80 -73.32 121.42 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.459 ' O ' HD11 ' A' ' 96' ' ' LEU . 7.6 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.485 ' HA ' HD12 ' A' ' 19' ' ' ILE . 10.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.737 0.304 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 16' ' ' HIS . 36.6 mm-40 -32.16 -55.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' ILE . 4.9 tt -56.73 -64.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 16' ' ' HIS . 80.5 mt -33.13 -64.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' ILE . 28.5 mt -34.24 -57.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 24' ' ' LEU . 11.9 t -62.03 -40.01 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' ILE . 4.1 ttmm -55.75 -44.01 77.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD12 ' HZ ' ' A' ' 50' ' ' PHE . 20.4 mt -58.67 -49.94 75.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD21 ' CD2' ' A' ' 50' ' ' PHE . 40.7 mt -50.67 -44.71 57.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -42.87 -41.76 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -60.43 135.96 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -49.35 -35.49 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.39 -38.41 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -113.84 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.95 -26.84 28.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 1.8 m-85 -130.17 158.42 39.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.8 t -51.41 165.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.72 -6.85 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -117.9 -60.25 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.0 p -99.77 8.94 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 9.0 mm-40 40.01 35.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.709 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.99 139.91 57.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -68.52 126.61 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.73 59.87 3.35 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.2 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.677 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.8 -72.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' NE1' HG12 ' A' ' 53' ' ' ILE . 52.7 m95 -43.3 162.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.54 121.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -83.83 110.99 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD2' ' N ' ' A' ' 46' ' ' ASN . 70.0 p-90 -69.36 -46.56 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 14.5 t-20 -43.73 -47.12 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.07 -48.97 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 38.88 2.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.19 153.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.54 ' CD2' HD21 ' A' ' 24' ' ' LEU . 89.2 m-85 -96.98 120.76 37.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 pt -122.69 168.15 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.35 -174.33 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.503 HG12 ' NE1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.39 -39.2 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' NH2' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -59.87 -67.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 90.2 m -46.89 -50.67 18.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.768 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -42.8 -49.54 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.33 -43.87 34.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -68.07 -44.43 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.078 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -48.27 -50.42 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -47.44 -49.87 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 62' ' ' LEU . 51.8 m-20 -52.02 -52.1 53.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 61' ' ' ASN . 32.0 mt -34.17 -55.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.36 132.49 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 65' ' ' HIS . 31.1 m -43.18 -45.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.566 ' CD2' HG13 ' A' ' 66' ' ' ILE . 16.6 p-80 -58.51 -40.08 81.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 65' ' ' HIS . 12.2 mt -74.34 -54.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t -151.76 130.33 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -113.17 73.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.768 HG11 ' HB1' ' A' ' 56' ' ' ALA . 85.9 t -41.37 131.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -145.39 131.52 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -57.61 152.72 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.677 HG21 ' O ' ' A' ' 41' ' ' ARG . 4.0 t -85.13 -40.79 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -104.85 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -41.23 -36.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 157.43 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -96.53 154.68 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -123.41 -175.07 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -146.15 148.86 33.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -49.57 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.89 -47.66 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.32 -41.55 66.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.575 HG22 HE22 ' A' ' 86' ' ' GLN . 21.6 mm -50.45 -60.3 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.491 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 2.5 tp-100 -42.9 -42.17 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.3 t -57.61 -51.54 69.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 79.6 mmm -44.06 -56.35 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.575 HE22 HG22 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -63.07 -43.97 97.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -51.51 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -74.72 -69.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.23 174.26 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -68.05 -43.84 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.1 m -38.63 -67.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -60.36 -51.46 69.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.37 -44.33 65.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 32.3 mt -70.55 -8.57 52.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -106.88 -64.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.509 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 87.7 m-85 -73.78 -45.46 51.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.597 ' HG2' HD11 ' A' ' 101' ' ' LEU . 23.2 mt-10 -88.6 35.42 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -102.31 -44.15 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -83.35 19.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.597 HD11 ' HG2' ' A' ' 98' ' ' GLU . 25.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' ARG . . . . . 0.523 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 37.5 ttm-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.71 145.02 56.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 0.0 112.355 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 107' ' ' ARG . 2.5 mp0 -107.17 -41.81 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t -102.99 157.15 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.5 m-20 -50.82 -43.26 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 25.0 tt0 -38.17 -34.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -106.42 -50.84 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.485 HG21 ' NH2' ' A' ' 54' ' ' ARG . 93.2 t -46.8 -64.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 114' ' ' VAL . 30.2 tt0 -35.09 -54.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -64.48 -52.34 58.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.582 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 28.8 t80 -41.6 -49.25 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.22 -35.8 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -70.85 -8.87 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.402 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.9 m-20 -123.64 -17.39 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 74.7 tttt -82.65 -47.15 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.509 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 68.1 m-85 -98.2 -55.17 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -64.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.8 mmtp -70.46 -22.17 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.8 mmtm 62.77 29.83 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -52.24 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.453 ' CD2' HD23 ' A' ' 101' ' ' LEU . 2.2 m-85 -87.17 39.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 67.2 t80 -97.6 118.65 34.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 19' ' ' ILE . 4.8 m170 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.711 0.291 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 16' ' ' HIS . 17.1 mm100 -30.78 -46.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -66.52 -50.87 61.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 16' ' ' HIS . 57.9 mt -49.95 -54.74 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.589 HD13 HG12 ' A' ' 72' ' ' VAL . 18.4 mt -47.17 -44.37 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -66.27 -42.87 87.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -50.87 -47.67 60.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' HG3' ' A' ' 86' ' ' GLN . 24.1 mt -54.61 -49.34 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.628 HD21 ' CD2' ' A' ' 50' ' ' PHE . 11.6 mt -63.52 -26.56 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -92.85 -3.11 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -89.43 29.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 42.16 38.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -123.83 -44.96 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -112.08 30.57 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -68.17 -17.27 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 20.3 m-85 -138.17 149.08 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.8 t -41.77 147.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.625 ' HB2' ' ND2' ' A' ' 90' ' ' ASN . . . -80.22 8.06 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -134.96 -65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -92.61 11.1 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' CYS . 45.1 mm-40 35.0 47.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -65.89 160.08 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -89.03 102.83 15.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.19 58.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 81.19 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -73.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -50.51 167.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.28 140.25 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 106.25 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 27.8 p-90 -65.25 -56.16 14.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -33.7 -39.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 122' ' ' TYR . 68.0 mt -94.99 -40.72 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' GLY . . . 97.28 31.46 6.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 93' ' ' ALA . 16.8 m -136.99 146.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 24' ' ' LEU . 26.4 m-85 -87.33 133.4 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.2 169.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.2 p -85.5 179.01 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 tt -70.77 -35.01 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.508 ' NH2' HG21 ' A' ' 114' ' ' VAL . 7.2 tmm_? -59.57 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.548 ' SG ' HD11 ' A' ' 118' ' ' ILE . 95.5 m -53.43 -45.23 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.877 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -44.31 -52.15 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.33 -38.88 34.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 54' ' ' ARG . 4.3 mp -73.11 -38.63 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.17 -49.49 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -48.94 -47.66 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 75.2 m-20 -48.52 -49.77 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 24.2 mt -37.52 -54.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.76 143.73 4.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.11 -13.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -91.56 -28.38 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 62' ' ' LEU . 37.4 mt -89.1 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.476 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 6.9 p -164.27 132.69 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -109.77 127.27 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.877 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.8 t -99.2 140.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.05 143.32 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -53.87 163.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.589 HG12 HD13 ' A' ' 20' ' ' LEU . 3.4 t -89.7 -42.08 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -102.69 -56.43 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 76.5 mt -44.33 -38.3 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.76 163.5 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -96.46 142.42 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 16.6 m95 -126.24 163.81 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 p -125.97 140.52 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -37.73 -46.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -52.17 -50.24 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.493 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 8.4 mm-40 -67.62 -38.96 84.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.569 HG22 HE22 ' A' ' 86' ' ' GLN . 30.7 mm -50.77 -55.38 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLN . . . . . 0.533 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 4.7 tp-100 -38.76 -53.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 85.2 m -47.41 -58.88 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' CYS . 82.4 mmm -36.66 -44.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.591 ' HG3' HD21 ' A' ' 23' ' ' LEU . 2.1 mp0 -78.3 -47.73 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.11 -28.96 28.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.1 tpt -108.03 -75.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 53.94 170.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ASN . . . . . 0.625 ' ND2' ' HB2' ' A' ' 33' ' ' ALA . 1.1 m-80 -61.84 -42.22 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.9 m -40.34 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -59.51 -47.71 84.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.595 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -38.64 -48.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HG3' ' CD ' ' A' ' 98' ' ' GLU . 19.5 ttm180 -66.72 -40.14 88.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.25 -1.84 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' O ' ' A' ' 129' ' ' ASP . 1.3 tm? -114.9 -69.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -70.37 -48.48 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.605 ' HG2' HD12 ' A' ' 101' ' ' LEU . 4.2 tt0 -83.22 35.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.52 -37.55 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' HB2' ' C ' ' A' ' 127' ' ' TYR . 8.6 m120 -88.57 21.0 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.605 HD12 ' HG2' ' A' ' 98' ' ' GLU . 16.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.538 0.685 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.91 34.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -102.28 -38.72 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.5 p -86.32 152.77 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.88 -45.81 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -39.0 -35.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -93.68 -65.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.508 HG21 ' NH2' ' A' ' 54' ' ' ARG . 74.5 t -34.98 -54.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -43.05 -48.26 6.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -75.31 -51.71 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 78.7 t80 -42.55 -45.76 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.548 HD11 ' SG ' ' A' ' 55' ' ' CYS . 88.5 mt -69.95 -38.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 123' ' ' GLU . 34.9 mtp85 -65.47 -59.71 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -11.33 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.455 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -89.78 -43.38 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 47' ' ' ILE . 64.0 m-85 -104.29 -47.22 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' ARG . 8.8 tt0 -62.36 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.69 -21.54 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt 59.18 37.92 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -62.63 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.593 ' CD2' HD23 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -84.32 36.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -99.08 118.21 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.485 ' O ' HD21 ' A' ' 96' ' ' LEU . 13.6 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.805 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.8 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' HIS . 35.5 mm-40 -33.84 -48.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 10.2 tp -64.73 -48.78 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' A' ' 16' ' ' HIS . 78.5 mt -45.57 -47.48 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.734 HD13 HG12 ' A' ' 72' ' ' VAL . 13.4 mt -54.22 -47.01 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -59.79 -44.12 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 1.5 mptm? -49.02 -47.84 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 ' OE1' ' A' ' 86' ' ' GLN . 35.6 mt -55.7 -55.8 28.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 50' ' ' PHE . 96.7 mt -47.87 -46.18 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 4.8 mmm180 -41.67 -47.22 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.77 144.39 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 50.9 mm-40 -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.71 -16.59 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -125.45 15.22 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -72.42 -23.85 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 3.8 m-85 -136.47 161.41 35.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 t -46.07 162.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.56 5.83 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.27 -49.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.9 p -108.97 11.73 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 18.1 pt-20 36.58 39.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.66 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -62.06 156.41 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -88.4 108.37 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.29 60.32 0.96 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.81 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 13.1 tpp180 -58.63 -75.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.431 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 78.8 m95 -48.04 170.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.2 119.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -78.85 113.04 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 46.4 p-90 -74.96 -52.09 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -43.03 -36.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.521 HD13 ' CE1' ' A' ' 122' ' ' TYR . 97.9 mt -90.25 -46.49 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 41.43 2.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 m -150.35 157.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.696 ' CD2' HD21 ' A' ' 24' ' ' LEU . 90.1 m-85 -95.9 124.8 40.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 pt -128.84 155.71 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -73.04 -174.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.27 -32.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -64.98 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.7 m -45.13 -46.41 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.772 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -49.76 -53.51 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.83 -25.68 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.487 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.4 mp -90.01 -35.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.096 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -62.36 -34.29 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.62 -47.36 81.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.33 -48.3 74.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 66' ' ' ILE . 38.5 mt -33.35 -51.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 139.12 127.74 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -41.6 -39.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 26.6 p-80 -70.05 -34.1 72.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.839 HD13 ' HG3' ' A' ' 123' ' ' GLU . 74.2 mt -76.54 -54.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 46' ' ' ASN . 5.2 m -156.11 135.58 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -110.61 138.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.772 HG11 ' HB1' ' A' ' 56' ' ' ALA . 59.1 t -113.11 136.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -162.93 131.22 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.5 m -46.62 166.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.734 HG12 HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -92.96 -36.67 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -110.01 -50.37 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 50.3 mt -50.52 -26.65 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -115.43 167.69 10.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.2 151.27 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 14.0 m95 -125.86 177.39 6.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 65.1 p -136.5 139.34 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.07 -44.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.48 -61.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 52.7 mt-30 -65.62 -41.96 92.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.1 mm -47.91 -59.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -47.02 -28.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.64 -45.09 76.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 93.6 mmm -52.59 -47.29 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.762 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.4 mp0 -70.03 -46.81 64.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -61.32 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -73.68 -72.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 164.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -60.14 -37.33 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.7 m -42.97 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -57.63 -47.37 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.26 -41.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -72.5 -42.99 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.82 -7.99 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -110.16 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 85.3 m-85 -70.32 -49.56 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -85.03 34.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.15 -34.31 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.51 20.49 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.429 HD23 ' CD2' ' A' ' 127' ' ' TYR . 20.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.407 ' O ' HG22 ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -75.04 -22.39 58.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 114' ' ' VAL . 41.3 p -83.94 125.79 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -47.93 63.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -50.68 -39.3 50.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -47.78 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 110' ' ' THR . 58.0 t -46.6 -62.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -41.95 -57.62 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' ARG . 15.8 m-85 -55.08 -56.46 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.585 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 36.0 t80 -34.18 -60.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.575 HG23 ' HD2' ' A' ' 122' ' ' TYR . 32.3 mt -60.72 -35.14 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' PHE . 26.0 mmm-85 -60.89 -21.22 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.1 m-20 -118.93 -7.03 10.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.585 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 13.4 ttpt -89.04 -31.92 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 50.5 m-85 -113.84 -52.29 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.839 ' HG3' HD13 ' A' ' 66' ' ' ILE . 6.7 tt0 -61.35 -63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 17.7 mmmt -71.45 -19.44 62.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 31.0 mmtp 56.14 29.6 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -51.54 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -82.81 37.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 47.9 t80 -99.09 121.85 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.514 ' CG ' HG13 ' A' ' 82' ' ' ILE . 3.8 m-70 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.766 0.317 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' HIS . 6.8 mp0 -34.23 -51.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -51.05 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 82.1 mt -50.69 -63.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 72' ' ' VAL . 34.8 mt -43.21 -38.71 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.6 m -72.49 -43.13 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -56.91 -37.04 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.84 -52.55 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.7 mt -52.22 -49.78 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -43.52 -37.81 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.67 136.44 57.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -51.65 -36.08 44.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.18 -24.81 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -121.91 32.87 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 37.9 mmtt -85.23 -29.45 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -130.12 172.24 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.2 t -61.04 167.02 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.88 -8.77 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -116.45 -53.17 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.9 p -107.22 9.7 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mt-10 35.99 43.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -63.96 163.41 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -89.18 112.98 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 62.78 1.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 80.18 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -58.85 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.666 ' NE1' HD13 ' A' ' 53' ' ' ILE . 55.5 m95 -44.57 167.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -162.52 135.47 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.11 95.73 9.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 22.0 p-90 -59.76 -50.41 73.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 11.9 t-20 -35.98 -48.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.81 -48.76 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.84 36.54 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.7 m -139.72 152.89 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 96.2 m-85 -92.7 124.77 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 pt -128.96 161.98 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -79.57 174.87 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.666 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.9 tp -66.03 -41.43 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 58' ' ' ILE . 7.8 tmm_? -54.64 -56.76 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.513 ' HA ' HD13 ' A' ' 58' ' ' ILE . 88.4 m -61.11 -44.15 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.697 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.05 -49.86 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.88 -39.51 32.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 54' ' ' ARG . 5.2 mp -71.52 -43.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -49.22 -51.24 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -45.56 -50.46 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 58' ' ' ILE . 4.0 m-20 -51.51 -50.65 59.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 66' ' ' ILE . 30.8 mt -35.07 -52.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.92 134.12 3.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -47.23 -30.87 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.8 p-80 -72.3 -31.4 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 62' ' ' LEU . 27.5 mt -85.11 -53.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 p -152.19 140.33 20.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.53 115.18 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.697 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.2 t -89.94 138.89 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 10.4 ptmm? -166.41 134.57 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 42.3 m -48.75 149.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 20' ' ' LEU . 16.5 t -74.18 -57.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.66 -60.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 62.6 mt -39.13 -43.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.1 156.08 19.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.43 142.1 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.4 m95 -127.74 157.69 39.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ALA . 70.5 p -123.37 144.64 49.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -35.37 -43.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -49.33 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' ' CD2' ' A' ' 45' ' ' TRP . 60.9 mt-30 -61.05 -47.69 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 16' ' ' HIS . 33.2 mm -43.35 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -47.76 -42.16 24.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 85' ' ' MET . 21.6 t -52.03 -59.71 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 84' ' ' CYS . 86.0 mmm -34.53 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 3.2 mp0 -65.64 -50.63 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.82 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 tpt -81.99 -70.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.19 171.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.97 -42.98 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.7 m -38.86 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -63.92 -45.32 89.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.465 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -42.13 -40.33 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.833 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 22.6 mt -64.09 -18.02 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.62 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 83.8 m-85 -69.94 -51.61 31.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.473 ' CD ' ' HZ1' ' A' ' 121' ' ' LYS . 5.1 mm-40 -84.62 35.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.833 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -100.12 -47.11 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -86.45 21.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.435 HD11 ' CD ' ' A' ' 98' ' ' GLU . 16.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 127.4 14.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -90.42 -40.35 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 114' ' ' VAL . 24.4 p -68.53 140.0 55.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' ALA . 2.9 m-20 -59.95 -63.53 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' NE2' ' HB ' ' A' ' 110' ' ' THR . 7.3 pm0 -37.24 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 113' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -85.57 -50.47 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.623 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 99.2 t -48.53 -57.01 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 115' ' ' GLU . . . . . 0.524 ' CG ' HG12 ' A' ' 58' ' ' ILE . 10.7 mt-10 -40.39 -49.08 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' PHE . 23.4 m-85 -68.45 -62.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.572 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 9.1 t80 -33.82 -47.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.62 -45.45 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' ARG . . . . . 0.601 ' HG3' HD21 ' A' ' 62' ' ' LEU . 41.0 mtt180 -58.38 -58.16 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.33 -19.01 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 117' ' ' PHE . 7.5 ttmt -80.92 -46.28 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.62 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 95.8 m-85 -100.67 -52.69 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 5.7 tt0 -54.28 -64.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -76.81 -19.99 56.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 62.93 34.23 14.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.85 -64.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.61 37.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -99.98 120.7 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.488 ' HA ' HD12 ' A' ' 19' ' ' ILE . 15.9 m-70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.712 0.291 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HA ' HD12 ' A' ' 20' ' ' LEU . 17.1 mp0 -30.63 -47.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -51.19 70.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 16' ' ' HIS . 19.0 mt -57.78 -50.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 17' ' ' GLN . 45.2 mt -46.31 -39.59 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -66.66 -47.65 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -36.88 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD11 HE21 ' A' ' 86' ' ' GLN . 43.5 mt -64.59 -50.08 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.95 -46.0 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -42.95 -39.36 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.2 135.72 55.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 10.2 tt0 -53.39 -31.34 44.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.96 -28.88 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -121.37 27.09 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 23.4 mmtt -80.32 -28.33 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 30' ' ' LYS . 1.8 m-85 -133.28 169.48 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 20.2 t -54.15 166.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.25 -6.28 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.52 7.3 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 3.9 pt-20 38.77 46.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 161.65 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -89.23 103.07 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.23 68.4 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 82.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -61.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TRP . . . . . 0.609 ' NE1' HD13 ' A' ' 53' ' ' ILE . 54.6 m95 -67.72 166.86 14.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -163.9 141.07 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -101.24 102.66 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 52.9 p-90 -64.51 -53.75 43.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.503 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 23.0 t-20 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ILE . . . . . 0.597 HD13 ' CE2' ' A' ' 122' ' ' TYR . 67.2 mt -88.06 -39.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 47.97 2.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG11 ' CB ' ' A' ' 93' ' ' ALA . 24.1 m -155.96 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HZ ' HD12 ' A' ' 23' ' ' LEU . 88.8 m-85 -97.25 126.3 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.78 170.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.83 172.0 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.609 HD13 ' NE1' ' A' ' 42' ' ' TRP . 3.0 tp -63.98 -34.65 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -60.41 -63.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.4 m -55.6 -36.93 67.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . 0.731 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -50.99 -50.67 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.02 -41.34 14.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -69.38 -42.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 111.129 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' A' ' 69' ' ' VAL . 19.4 m-70 -52.33 -52.26 54.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtm105 -47.49 -46.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 17.7 m120 -56.82 -50.59 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 41.4 mt -34.94 -57.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.48 134.0 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.2 -34.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' HIS . . . . . 0.56 ' CD2' HG13 ' A' ' 66' ' ' ILE . 27.1 p-80 -68.75 -39.19 80.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 65' ' ' HIS . 18.0 mt -74.81 -41.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.3 t -169.17 140.01 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -112.89 104.11 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.731 HG11 ' HB1' ' A' ' 56' ' ' ALA . 60.9 t -75.78 140.04 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.73 148.2 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.49 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 26.8 m -59.57 159.19 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 43' ' ' ALA . 38.8 t -87.17 -43.62 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -96.74 -57.72 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 98.4 mt -42.91 -62.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.84 160.35 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -96.09 140.88 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' TRP . . . . . 0.562 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 12.3 m95 -122.41 154.89 37.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.0 p -120.03 161.44 20.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.17 -43.2 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.67 -50.36 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.5 mp0 -68.41 -50.01 55.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.7 mm -52.0 -51.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -50.65 -46.32 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.05 -52.15 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.8 mmm -43.98 -47.39 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLN . . . . . 0.591 HE21 HD11 ' A' ' 23' ' ' LEU . 13.9 mp0 -71.27 -50.45 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.23 -59.11 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.5 tpt -81.24 -72.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.2 174.79 3.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.45 -43.46 77.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -40.42 -66.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 95' ' ' LEU . 36.3 mttm -62.37 -49.25 76.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -37.32 -40.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -73.52 -40.65 63.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 41.1 mt -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.467 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.28 -62.8 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 79.0 m-85 -68.69 -51.64 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.895 ' HB3' HD12 ' A' ' 101' ' ' LEU . 22.7 mt-10 -91.08 38.66 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 129' ' ' ASP . . . -89.54 -40.21 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.96 19.51 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.895 HD12 ' HB3' ' A' ' 98' ' ' GLU . 19.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.62 33.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.16 -38.09 10.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' ASP . 80.5 p -76.33 121.67 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.9 OUTLIER -34.26 -53.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 112' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.8 mt-30 -35.51 -67.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.57 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 93.6 t -43.38 -53.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -49.15 -52.6 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -62.03 -45.45 93.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' PHE . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 23.5 t80 -46.53 -56.35 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 122' ' ' TYR . 19.4 mt -69.36 -36.01 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -71.53 -8.95 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' ASP . . . . . 0.409 ' HB3' ' HD3' ' A' ' 126' ' ' LYS . 11.9 m-20 -119.91 -16.54 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' LYS . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 17.6 ttpp -92.93 -39.19 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' TYR . . . . . 0.597 ' CE2' HD13 ' A' ' 47' ' ' ILE . 70.3 m-85 -98.89 -56.03 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 123' ' ' GLU . . . . . 0.481 ' HG2' HD13 ' A' ' 66' ' ' ILE . 2.8 tm-20 -59.58 -68.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -64.54 -27.69 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 125' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.1 mmtp 63.85 35.43 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 120' ' ' ASP . 1.8 mtpm? -60.03 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 127' ' ' TYR . . . . . 0.568 ' CD2' HD23 ' A' ' 101' ' ' LEU . 9.6 m-85 -70.66 -17.21 62.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' TYR . . . . . 0.525 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 67.0 t80 -51.78 121.09 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 129' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 16.4 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -91.66 93.79 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.797 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -54.78 -46.99 74.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.66 -117.58 4.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m 49.72 42.44 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -137.36 108.7 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 71.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ALA . 49.3 tttp -108.55 43.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -37.88 -43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' ALA . 11.6 tt0 -34.41 -57.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -61.61 -40.17 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ALA . 2.5 mm? -80.96 43.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -72.26 149.86 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 51.77 39.97 26.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.471 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 4.5 tp-100 -122.06 94.7 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' ILE . 24.7 m170 -69.26 -60.47 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.0 mm-40 -31.7 -42.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -71.72 -54.92 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' HIS . 57.2 mt -41.59 -49.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD13 HG12 ' A' ' 72' ' ' VAL . 20.3 mt -48.87 -43.21 38.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 t -65.7 -46.07 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -49.58 -38.02 29.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD11 HE21 ' A' ' 86' ' ' GLN . 27.0 mt -66.95 -58.9 4.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 50' ' ' PHE . 71.2 mt -47.29 -40.92 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -51.36 -42.74 61.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.76 138.59 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.09 -27.7 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.3 -32.12 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -117.53 31.9 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 24.0 mttp -90.15 -15.07 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 30' ' ' LYS . 2.8 m-85 -138.77 154.79 48.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.8 t -46.03 159.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.71 43.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.97 -68.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 20.9 p -86.85 -0.56 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HB2' ' CD ' ' A' ' 107' ' ' ARG . 2.5 tp10 47.87 42.44 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -63.04 -179.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 39.7 mtmt -110.55 102.48 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.88 59.46 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.673 ' O ' HG21 ' A' ' 72' ' ' VAL . 11.8 tpp85 -62.71 -75.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.439 ' HE1' HD12 ' A' ' 53' ' ' ILE . 64.4 m95 -47.35 163.0 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -157.59 136.4 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.05 104.78 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 45.6 p-90 -69.19 -48.54 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 23.9 t-20 -38.99 -37.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.45 -43.36 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.9 44.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -148.37 153.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.1 m-85 -95.55 126.07 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.35 159.63 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -75.77 -175.81 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 54' ' ' ARG . 6.0 tt -72.98 -48.0 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.561 ' N ' HG23 ' A' ' 53' ' ' ILE . 6.7 tmm_? -51.53 -58.09 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.776 ' HA ' HD12 ' A' ' 58' ' ' ILE . 91.5 m -58.34 -48.24 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.2 -46.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.36 79.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 55' ' ' CYS . 10.2 mt -61.44 -47.03 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -49.24 -49.08 44.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' HB ' ' A' ' 69' ' ' VAL . 27.4 mtp85 -51.07 -43.44 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -55.24 -46.64 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 mt -42.82 -51.75 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.08 148.9 6.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.99 -8.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -94.51 -26.47 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.464 HD13 ' HG3' ' A' ' 123' ' ' GLU . 15.7 mt -92.39 -48.58 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -156.02 128.9 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -102.16 120.27 40.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' HB ' ' NH1' ' A' ' 60' ' ' ARG . 60.2 t -96.13 134.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -158.12 152.89 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.5 m -65.42 145.87 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.673 HG21 ' O ' ' A' ' 41' ' ' ARG . 2.7 t -69.27 -41.11 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ASP . 17.8 t-20 -116.15 -55.4 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.635 ' H ' HD12 ' A' ' 74' ' ' LEU . 4.0 mp -43.73 -22.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' ASN . 28.7 t0 -112.81 165.39 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -92.62 152.06 19.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.427 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 15.6 m95 -132.45 173.88 10.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 p -139.41 148.72 43.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.54 -48.27 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -49.01 -47.37 44.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.571 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 29.3 mt-30 -74.11 -37.05 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.502 HG13 ' CG ' ' A' ' 16' ' ' HIS . 22.9 mm -55.95 -61.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.7 -38.33 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.14 -50.7 72.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -43.73 -45.3 7.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.836 HE21 HD11 ' A' ' 23' ' ' LEU . 24.5 mp0 -77.92 -52.51 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -44.16 -46.13 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -96.81 -71.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 179.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -68.65 -37.2 79.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.3 m -43.26 -71.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.2 -45.52 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.4 -41.63 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -71.83 -45.12 62.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.21 -5.62 28.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 132' ' ' ALA . 1.1 tm? -111.16 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.728 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 86.9 m-85 -68.96 -48.6 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG2' HD11 ' A' ' 101' ' ' LEU . 51.4 mt-10 -84.53 33.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.97 -35.81 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -95.68 21.52 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 105' ' ' PHE . 25.0 mt -79.77 155.45 75.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 152.16 69.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.82 -38.85 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.0 p-10 -102.44 39.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CD2' HD13 ' A' ' 101' ' ' LEU . 22.7 t80 -63.34 147.54 50.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -150.28 119.4 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.499 ' CD ' ' HB2' ' A' ' 36' ' ' GLU . 42.6 mtt-85 -57.49 135.51 82.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.46 42.67 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -98.83 -38.38 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 114' ' ' VAL . 49.4 p -83.66 137.68 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 112' ' ' GLN . 5.0 p-10 -55.97 -52.19 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' ASP . 3.5 pt20 -34.73 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -91.9 -53.98 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 110' ' ' THR . 60.1 t -39.87 -58.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' CG ' HG12 ' A' ' 58' ' ' ILE . 6.9 mt-10 -40.16 -53.57 2.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 117' ' ' PHE . 17.2 m-85 -66.8 -59.66 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.4 t80 -36.36 -58.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 58' ' ' ILE . 97.9 mt -58.05 -44.8 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 123' ' ' GLU . 27.0 mtp85 -58.94 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 31.4 m-20 -61.52 -20.59 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 49.0 tttp -78.1 -44.34 26.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.728 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 71.7 m-85 -104.71 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 119' ' ' ARG . 14.5 tt0 -50.35 -55.84 13.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 14.0 mmtp -82.39 -16.62 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 33.5 mmtm 59.45 29.61 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -49.72 -68.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.403 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -84.74 38.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 58.8 t80 -99.39 120.39 39.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.76 103.91 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -76.13 -38.88 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 130' ' ' LYS . 47.7 m-80 -36.26 -44.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.492 ' HB3' HD21 ' A' ' 96' ' ' LEU . . . -46.73 -57.98 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.678 ' O ' HG22 ' A' ' 133' ' ' ILE . 5.3 mp -88.39 61.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -95.8 20.34 10.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.799 HD12 ' O ' ' A' ' 135' ' ' ILE . 2.7 pp -107.52 31.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.3 t -75.72 116.05 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -162.78 90.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.18 3.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.6 m -121.74 167.63 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.6 p -49.48 139.07 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -80.34 175.0 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -94.68 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.87 -94.91 0.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -174.51 172.28 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -115.54 112.77 22.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.2 177.16 16.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -90.91 138.12 31.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' GLN . . . -90.53 -46.7 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' ALA . 36.4 tp60 -34.29 -47.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.33 -47.01 68.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.0 mp -80.22 45.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -107.69 101.6 10.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -87.75 -50.93 6.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -142.36 147.72 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.786 ' HA ' HD12 ' A' ' 19' ' ' ILE . 0.6 OUTLIER -42.45 -52.19 4.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -48.22 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.27 -51.31 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 16' ' ' HIS . 64.0 mt -44.78 -64.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 72' ' ' VAL . 31.0 mt -39.61 -45.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -66.86 -38.19 85.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 11.7 mttm -65.33 -40.47 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 HE21 ' A' ' 86' ' ' GLN . 21.5 mt -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 50' ' ' PHE . 69.8 mt -59.01 -52.8 64.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -40.08 -35.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.05 126.69 28.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -44.32 -24.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -66.54 -41.17 89.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 31.8 m-20 -113.79 30.4 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -83.82 -26.24 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -129.34 166.98 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 16.1 t -58.15 158.46 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.73 8.42 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -134.12 -59.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 20.6 p -99.1 6.06 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mm-40 42.3 35.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.584 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -53.87 168.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -96.89 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.42 67.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.66 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.538 ' HE1' HD12 ' A' ' 53' ' ' ILE . 71.5 m95 -55.07 173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB2' ' HD1' ' A' ' 50' ' ' PHE . . . -167.7 138.27 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -96.51 107.9 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.574 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 51.6 p-90 -72.28 -45.82 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 20.8 t-20 -46.64 -40.26 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -89.05 -49.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 38.82 2.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 31.5 m -143.04 162.44 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.496 ' HD1' ' HB2' ' A' ' 43' ' ' ALA . 84.9 m-85 -103.48 118.34 36.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 pt -122.06 161.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.7 p -77.56 178.26 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.538 HD12 ' HE1' ' A' ' 42' ' ' TRP . 16.5 tt -69.41 -35.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.1 tmm_? -59.76 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 76.9 m -55.78 -48.55 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.76 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -43.57 -50.24 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.2 -42.02 16.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.0 mp -71.59 -37.62 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.075 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.51 -50.21 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -48.79 -43.7 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.7 m-80 -56.39 -51.86 66.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.4 mt -35.34 -57.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 136.61 3.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 65' ' ' HIS . 28.2 m -47.1 -41.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 48.0 p-80 -62.77 -30.85 71.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.525 HG13 ' CD2' ' A' ' 65' ' ' HIS . 16.6 mt -86.25 -62.76 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.4 m -151.75 128.84 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -99.6 153.99 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HB1' ' A' ' 56' ' ' ALA . 63.2 t -127.11 131.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 13.4 ptmm? -156.56 138.8 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 52.0 m -53.65 145.13 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.492 HG12 HD13 ' A' ' 20' ' ' LEU . 4.2 t -71.44 -58.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -63.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 27.4 mt -37.65 -54.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.7 158.74 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -93.62 141.08 28.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.5 m95 -123.84 163.65 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.1 p -133.78 169.12 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 -41.48 23.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -52.7 -52.22 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 7.3 mp0 -71.62 -49.32 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.42 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 42.9 mm -50.23 -58.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.9 tp-100 -46.69 -46.73 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.06 -47.82 81.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.7 mmm -47.83 -52.95 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.423 HE21 HD11 ' A' ' 23' ' ' LEU . 2.8 mp0 -67.71 -48.51 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.9 -63.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.27 -73.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.57 172.79 1.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.67 -44.59 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.489 ' N ' HH21 ' A' ' 94' ' ' ARG . 25.3 m -38.53 -68.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -59.58 -49.82 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.42 -38.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.489 HH21 ' N ' ' A' ' 91' ' ' THR . 59.4 mtm180 -74.56 -45.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.24 -8.32 23.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 1.2 tm? -108.36 -68.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.656 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 96.4 m-85 -69.77 -49.23 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.7 34.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.86 -30.6 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -99.86 22.14 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.732 HD22 ' CD2' ' A' ' 105' ' ' PHE . 55.6 mt -74.84 148.52 84.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.9 55.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.99 -26.63 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -114.24 41.17 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.732 ' CD2' HD22 ' A' ' 101' ' ' LEU . 5.3 t80 -64.25 142.07 58.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -126.41 110.82 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -63.1 121.83 71.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.7 33.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.24 -38.49 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 114' ' ' VAL . 35.7 p -82.19 144.68 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -45.54 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -39.41 -40.38 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.1 -55.07 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 110' ' ' THR . 94.5 t -39.85 -65.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -34.41 -53.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.488 ' N ' ' OE1' ' A' ' 115' ' ' GLU . 9.1 m-85 -62.62 -55.36 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 39.8 t80 -40.31 -48.96 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.04 -34.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -71.3 -10.61 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.89 -19.21 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.524 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 28.0 tttt -83.93 -29.13 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.656 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 34.6 m-85 -114.07 -59.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.76 -59.01 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -75.53 -18.12 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.58 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 38.0 mmtm 59.07 29.03 18.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -48.05 -67.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.39 38.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 41.0 t80 -94.77 123.45 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -92.55 99.03 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -72.51 -35.25 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -48.88 -42.8 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.429 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -67.4 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.625 ' O ' HG22 ' A' ' 133' ' ' ILE . 27.0 mm -75.75 58.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.48 135.56 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 135' ' ' ILE . 2.7 pp -88.16 146.39 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.3 t -65.65 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.36 111.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 -2.53 10.4 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.259 . . . . 0.0 112.3 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.6 m -51.44 115.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.8 t -78.55 140.16 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.492 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -170.8 147.39 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -118.29 132.65 56.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.62 74.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 7' ' ' GLY . 8.5 t -126.15 148.47 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -47.98 92.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -144.78 -52.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? 43.5 40.73 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.01 38.33 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.5 mp0 -59.39 -62.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -51.26 -38.13 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.67 48.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 66.5 m-20 -115.14 37.75 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.34 44.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -133.38 106.92 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.768 ' HA ' HD12 ' A' ' 19' ' ' ILE . 2.9 m-70 -66.91 -58.34 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' HIS . 4.8 mm-40 -33.38 -51.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.7 -54.75 41.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 16' ' ' HIS . 55.3 mt -43.33 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.983 HD13 HG12 ' A' ' 72' ' ' VAL . 10.5 mt -46.23 -47.33 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -62.1 -40.24 95.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.48 -35.48 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HG3' ' A' ' 86' ' ' GLN . 20.3 mt -68.21 -46.2 71.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 50' ' ' PHE . 61.1 mt -55.37 -40.32 71.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -49.38 -33.29 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.81 130.91 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -48.4 -25.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 1.3 m-20 -115.04 26.38 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -86.33 -26.55 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -130.46 154.6 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.3 t -41.88 161.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.34 6.08 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.47 -54.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.1 p -102.96 8.05 39.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 107' ' ' ARG . 14.5 mm-40 42.08 33.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.668 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -54.38 165.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -97.18 108.9 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.13 59.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 81.57 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.373 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -58.36 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.58 ' NE1' HD13 ' A' ' 53' ' ' ILE . 60.2 m95 -46.83 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.507 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -165.91 125.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.71 104.59 14.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.586 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 41.9 p-90 -66.3 -53.43 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.49 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 27.0 t-20 -33.89 -41.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -95.46 -40.81 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 43.51 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 27.2 m -142.65 146.73 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -89.97 118.29 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.8 pt -125.14 154.16 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -71.71 -179.96 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD13 ' NE1' ' A' ' 42' ' ' TRP . 6.7 tp -68.65 -48.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.5 tmm_? -50.28 -60.19 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 m -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.961 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.06 -53.82 15.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.43 -37.99 3.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.49 HG21 ' HA ' ' A' ' 115' ' ' GLU . 3.9 mp -77.36 -37.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.472 ' CD2' HG21 ' A' ' 118' ' ' ILE . 4.3 m-70 -58.08 -45.11 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -50.54 -48.14 57.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' LEU . 87.5 m-20 -49.1 -49.86 39.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 66' ' ' ILE . 23.2 mt -34.38 -53.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 142.73 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.32 -31.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' CD2' HG13 ' A' ' 66' ' ' ILE . 39.4 p-80 -67.79 -30.66 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 62' ' ' LEU . 26.1 mt -87.27 -53.98 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 18.8 t -157.0 152.33 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.6 mtt85 -119.52 125.63 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.961 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.6 t -99.75 137.16 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.57 155.78 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -65.67 175.58 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.983 HG12 HD13 ' A' ' 20' ' ' LEU . 2.1 t -104.34 -39.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.04 -52.17 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.0 mt -50.28 -46.44 55.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.15 150.86 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -90.96 142.62 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.8 m95 -118.6 177.78 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.4 p -137.04 149.9 47.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.5 -46.98 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -45.56 -60.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.542 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 74.5 mt-30 -67.44 -44.26 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 39.8 mm -49.25 -64.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -39.15 -42.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.3 m -64.26 -51.89 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mmm -40.35 -54.52 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 8.4 mp0 -63.92 -53.43 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' ' HE3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -51.27 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 tpt -63.08 -73.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 54.08 -174.47 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.422 ' OD1' ' CG ' ' A' ' 29' ' ' ASN . 5.5 m120 -69.16 -32.89 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.4 m -49.65 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 87' ' ' ASP . 21.4 mtmt -59.29 -41.31 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.443 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -49.61 -38.87 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -75.71 -42.75 50.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.58 -4.17 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 132' ' ' ALA . 0.7 OUTLIER -114.27 -61.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CE1' ' CE2' ' A' ' 122' ' ' TYR . 90.4 m-85 -76.45 -49.4 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.85 35.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.45 -40.08 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -87.29 13.59 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 105' ' ' PHE . 21.2 mt -79.94 146.83 64.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 137.43 35.37 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.05 -40.0 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.51 35.78 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.641 ' CD1' HD22 ' A' ' 101' ' ' LEU . 13.0 t80 -64.58 145.56 55.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.529 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -129.62 144.92 51.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 12.0 mtt85 -86.28 130.51 49.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.472 ' HA ' ' NE2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -72.01 -23.33 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.5 p -87.18 130.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -53.5 48.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.01 -48.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.14 -49.2 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 110' ' ' THR . 86.9 t -43.25 -59.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.49 ' HA ' HG21 ' A' ' 58' ' ' ILE . 20.3 tt0 -42.46 -54.7 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 119' ' ' ARG . 8.6 m-85 -62.0 -59.25 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 32.0 t80 -35.97 -57.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 59' ' ' HIS . 80.3 mt -58.5 -39.5 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.452 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 19.1 mtp180 -63.89 -57.34 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.0 -19.52 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 75.4 tttt -80.72 -43.54 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.428 ' CE2' ' CE1' ' A' ' 97' ' ' TYR . 58.8 m-85 -103.95 -61.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.522 ' HG3' HD13 ' A' ' 66' ' ' ILE . 9.1 tt0 -46.44 -60.72 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.62 -20.3 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.0 mmtp 62.43 26.12 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -47.08 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.23 38.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.535 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 66.5 t80 -99.91 118.52 36.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -91.21 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -80.42 -36.68 33.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -52.13 -39.76 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' A' ' 96' ' ' LEU . . . -62.39 -19.14 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.535 ' O ' HG22 ' A' ' 133' ' ' ILE . 32.7 mm -82.15 60.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.92 170.77 16.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.76 134.71 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 m -127.36 132.44 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -120.0 137.5 12.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.13 25.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.3 m -108.65 164.29 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.9 t -133.1 164.85 26.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -98.48 159.62 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -105.66 122.75 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.19 109.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -128.44 110.08 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.6 p -138.64 176.34 8.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.93 69.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -81.33 41.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.47 41.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -88.21 -61.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -44.16 -55.82 4.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -44.47 -55.32 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.492 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.2 m-20 -61.77 101.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -89.95 46.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.436 ' O ' HD12 ' A' ' 19' ' ' ILE . 3.4 mp0 -113.2 88.47 2.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -48.76 -51.7 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.534 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.7 mm-40 -60.68 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.28 -56.58 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 13' ' ' ASN . 20.3 mt -47.58 -53.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 17' ' ' GLN . 33.7 mt -44.26 -44.3 7.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -65.24 -39.02 92.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD11 HE21 ' A' ' 86' ' ' GLN . 30.3 mt -65.63 -45.29 83.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD21 ' CD2' ' A' ' 50' ' ' PHE . 32.9 mt -59.74 -47.59 85.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 7.5 mtp-105 -44.28 -39.84 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.82 137.27 56.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 37.4 tt0 -53.11 -32.92 49.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -25.23 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -123.38 28.17 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.17 -24.7 32.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -132.07 158.61 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.4 t -46.64 162.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.69 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -134.3 -55.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -100.57 3.63 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 78.3 mm-40 43.75 37.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.583 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.41 177.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -105.13 97.33 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.16 64.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.84 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.745 2.297 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' HG21 ' A' ' 72' ' ' VAL . 11.2 tpp180 -65.35 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.513 ' NE1' HD13 ' A' ' 53' ' ' ILE . 62.3 m95 -50.73 171.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.86 122.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.62 105.14 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 48.9 p-90 -66.72 -47.69 71.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -39.83 -45.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.536 HD13 ' CE2' ' A' ' 122' ' ' TYR . 21.9 mt -89.68 -49.4 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.83 44.44 1.21 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -146.96 151.46 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CD2' HD21 ' A' ' 24' ' ' LEU . 91.8 m-85 -88.81 128.04 35.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.54 154.6 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.49 -176.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.513 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.3 tp -75.62 -36.11 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 54' ' ' ARG . 7.6 tmm_? -59.08 -48.28 82.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.836 ' HA ' HD12 ' A' ' 58' ' ' ILE . 96.4 m -69.98 -43.02 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -42.44 -48.77 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.42 -41.8 63.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 55' ' ' CYS . 11.3 mt -63.09 -42.18 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.138 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.439 ' HB2' HG21 ' A' ' 69' ' ' VAL . 15.2 m-70 -56.04 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -49.74 -47.59 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' LEU . 57.4 m-20 -53.99 -52.23 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 66' ' ' ILE . 20.4 mt -33.98 -52.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.35 147.33 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.25 -28.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.069 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.481 ' CD2' HG13 ' A' ' 66' ' ' ILE . 19.8 p-80 -73.82 -29.23 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 62' ' ' LEU . 27.0 mt -86.93 -58.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -152.67 163.62 39.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HG3' ' CZ2' ' A' ' 45' ' ' TRP . 8.2 mmm180 -119.48 168.28 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 59' ' ' HIS . 60.5 t -147.05 130.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -163.79 158.25 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 3.6 m -61.15 175.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 41' ' ' ARG . 14.6 t -109.85 -38.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.08 -37.73 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 91.1 mt -60.69 -52.05 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.38 164.4 15.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -91.87 148.89 21.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -123.63 166.96 14.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.49 ' H ' HE21 ' A' ' 81' ' ' GLN . 82.4 p -127.01 157.57 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.16 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.11 -50.28 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.49 HE21 ' H ' ' A' ' 78' ' ' THR . 7.1 mt-30 -68.05 -44.33 76.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.9 mm -54.95 -57.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -47.33 -39.28 14.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -62.92 -42.91 99.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.0 mmm -52.64 -50.3 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.8 HE21 HD11 ' A' ' 23' ' ' LEU . 24.5 mp0 -70.67 -46.77 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.75 -62.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.6 tpt -74.52 -74.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.19 173.52 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -70.21 -41.78 73.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -41.41 -69.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -60.23 -43.76 95.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -74.22 -43.65 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.96 -3.13 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -113.04 -63.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.5 -47.36 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.714 ' HG2' HD11 ' A' ' 101' ' ' LEU . 44.1 mt-10 -86.26 35.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.76 -41.8 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -89.98 21.79 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.813 HD13 ' CD2' ' A' ' 105' ' ' PHE . 22.2 mt -72.86 155.94 90.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 152.28 69.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.312 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.6 -38.3 66.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -103.09 38.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.813 ' CD2' HD13 ' A' ' 101' ' ' LEU . 12.9 t80 -61.31 140.24 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -145.15 114.23 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -53.17 130.78 51.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 136.87 33.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -96.41 -39.62 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.1 p -77.81 138.72 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' GLN . 11.5 p-10 -56.79 -49.27 75.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 25.1 pt20 -38.37 -43.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -81.26 -55.09 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 110' ' ' THR . 59.6 t -37.7 -57.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -44.54 -43.51 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ARG . 37.4 m-85 -75.53 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CE1' ' HD2' ' A' ' 121' ' ' LYS . 15.9 t80 -37.51 -53.57 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.54 HD12 HD13 ' A' ' 58' ' ' ILE . 89.9 mt -62.53 -38.32 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.45 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 34.1 mtt180 -63.4 -50.75 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.86 -9.75 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HD2' ' CE1' ' A' ' 117' ' ' PHE . 53.2 tttt -99.57 -20.02 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.536 ' CE2' HD13 ' A' ' 47' ' ' ILE . 52.7 m-85 -122.2 -51.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.518 ' HG3' HD13 ' A' ' 66' ' ' ILE . 12.2 tt0 -63.84 -72.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -63.36 -24.55 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.09 38.3 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -59.95 -59.84 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.16 32.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.459 ' CE1' HD11 ' A' ' 96' ' ' LEU . 79.1 t80 -95.01 118.25 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.44 108.59 19.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 -32.82 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -54.82 -38.42 67.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -16.61 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.557 ' O ' HG22 ' A' ' 133' ' ' ILE . 28.2 mm -82.95 60.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.88 14.42 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 135' ' ' ILE . 5.2 mp -68.85 129.09 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.0 p -52.36 164.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.41 115.06 4.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.53 65.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.0 t -71.05 98.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 t -42.8 -54.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.523 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -164.7 126.61 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -152.03 155.26 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.35 81.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -74.19 97.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -119.58 157.35 28.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.63 118.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -99.3 99.27 10.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB2' ' CD ' ' A' ' 22' ' ' LYS . . . -48.49 -40.98 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -39.23 -50.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -89.65 -36.96 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.5 35.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -71.93 100.21 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -95.36 -51.99 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.445 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 5.8 pt20 -150.35 142.2 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 4.1 m-70 -44.58 -60.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -40.34 -52.08 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 1.2 tm? -55.06 -57.92 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.72 -60.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.6 mt -42.82 -47.38 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 15.2 mttm -51.68 -44.25 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.903 HD11 ' OE1' ' A' ' 86' ' ' GLN . 22.8 mt -59.82 -57.78 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -48.92 -48.27 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -43.28 -43.22 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.78 145.35 19.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 3.3 tp10 -59.36 -36.72 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.93 -22.22 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -121.48 24.97 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.3 -17.27 43.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 8.8 m-85 -141.55 151.43 43.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.469 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.9 t -38.86 159.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' C ' ' OD1' ' A' ' 34' ' ' ASP . . . -90.31 0.5 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 33' ' ' ALA . 2.3 m-20 -126.98 -61.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.4 p -95.81 4.95 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 pt-20 39.99 43.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.03 -178.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -106.92 98.44 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 62.49 0.76 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.79 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.639 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.15 -70.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' HE1' HD13 ' A' ' 53' ' ' ILE . 57.2 m95 -49.35 163.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -161.39 120.18 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.48 114.96 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 46.1 p-90 -74.9 -54.2 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.537 ' ND2' HG13 ' A' ' 47' ' ' ILE . 0.4 OUTLIER -37.95 -32.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.537 HG13 ' ND2' ' A' ' 46' ' ' ASN . 70.4 mt -100.86 -47.43 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.909 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.94 42.44 2.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -144.52 153.42 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 97.2 m-85 -93.81 126.92 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 56' ' ' ALA . 22.4 pt -128.3 159.3 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.94 -176.68 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.533 HD13 ' HE1' ' A' ' 42' ' ' TRP . 5.4 tp -72.76 -29.34 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.1 tmm_? -66.7 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.645 ' HA ' HD12 ' A' ' 58' ' ' ILE . 95.4 m -52.33 -44.85 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -38.54 -46.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -46.37 76.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 55' ' ' CYS . 12.7 mt -59.69 -37.68 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -59.98 -46.51 89.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -57.53 -45.7 84.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.3 m-20 -53.15 -51.3 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' ASN . 24.5 mt -36.78 -55.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.31 138.16 3.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.5 m -47.67 -36.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -65.21 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 123' ' ' GLU . 11.5 mt -84.47 -61.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 74.7 m -148.53 147.71 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.821 -179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 12.5 mtp180 -118.04 149.42 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 56' ' ' ALA . 82.4 t -123.27 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -156.1 137.16 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -47.41 167.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.639 HG21 ' O ' ' A' ' 41' ' ' ARG . 8.6 t -100.87 -50.5 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -52.16 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.2 mt -48.44 -41.69 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -96.26 161.42 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -92.15 150.33 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -127.29 165.28 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.1 p -122.28 147.68 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.18 -45.26 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -52.87 -43.86 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -76.18 -34.99 59.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.408 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 9.2 mm -57.57 -51.05 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' MET . 2.7 m -46.96 -60.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' CYS . 83.2 mmm -36.65 -56.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.903 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.7 mp0 -63.48 -47.83 80.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -52.61 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.5 tpt -73.38 -75.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.62 156.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -52.54 -39.92 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -40.48 -70.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -61.52 -45.1 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.81 -41.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -70.21 -46.95 63.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 22.9 mt -68.13 -7.44 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 132' ' ' ALA . 0.8 OUTLIER -107.74 -67.3 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.401 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 77.0 m-85 -71.14 -50.08 37.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.445 ' CB ' HD12 ' A' ' 101' ' ' LEU . 39.9 mt-10 -86.89 36.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -94.47 -40.44 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.9 19.33 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.445 HD12 ' CB ' ' A' ' 98' ' ' GLU . 18.4 mt -86.56 147.32 43.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.45 33.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.13 -40.35 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.63 35.07 1.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 107' ' ' ARG . 7.3 t80 -60.07 143.34 52.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -131.75 90.46 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -48.64 141.93 9.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 145.62 57.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 13.7 mm100 -105.93 -37.13 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 111' ' ' ASP . 34.3 p -73.34 117.89 15.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.3 OUTLIER -34.74 -58.76 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.1 mp0 -35.31 -58.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.62 -50.16 70.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.38 -40.45 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.4 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -73.77 -53.99 9.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 31.5 t80 -43.79 -61.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.416 HD12 HD13 ' A' ' 58' ' ' ILE . 76.7 mt -55.15 -38.84 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 35.3 mtp85 -61.3 -56.82 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.45 -10.04 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 57.5 tttt -91.3 -39.02 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.401 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 75.1 m-85 -108.2 -44.37 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.521 ' HG2' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -66.71 -68.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -67.37 -22.21 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.518 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.8 mmtp 59.19 37.0 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -58.24 -73.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -66.19 -18.65 65.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.518 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 85.5 t80 -46.34 126.8 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.78 116.37 28.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -89.55 -36.46 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -40.01 -37.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -52.5 -44.2 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 28.6 mm -33.6 -40.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 133' ' ' ILE . . . 74.12 32.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.845 HD12 ' N ' ' A' ' 136' ' ' SER . 0.1 OUTLIER -82.46 137.79 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.845 ' N ' HD12 ' A' ' 135' ' ' ILE . 10.3 m -36.99 113.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -170.91 122.44 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.284 . . . . 0.0 112.286 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 t -175.06 176.55 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 33.2 t -132.45 132.13 42.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.475 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -83.5 101.37 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -169.05 175.43 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.47 123.0 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -161.73 136.29 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -102.31 43.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.21 81.9 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -45.54 170.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 10' ' ' GLN . . . -128.6 -30.9 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -34.26 -63.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' CD ' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -69.16 -32.15 71.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.34 80.95 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -157.38 136.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.9 43.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -109.01 87.39 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -40.86 -58.17 1.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -52.6 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -46.34 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -42.1 -56.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 72' ' ' VAL . 36.3 mt -48.41 -43.73 34.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -65.01 -44.45 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.76 -48.78 63.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HE21 ' A' ' 86' ' ' GLN . 27.9 mt -52.66 -43.86 65.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.12 -13.06 10.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -118.24 36.6 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -119.64 29.41 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 44.74 25.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 7.8 p30 -123.77 -37.84 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 47.0 m-80 -117.23 21.69 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -60.69 -29.99 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.71 165.1 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.0 t -53.57 161.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 3.19 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 121' ' ' LYS . 2.6 m-20 -126.7 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 19.1 p -88.85 -4.18 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE1' ' CZ ' ' A' ' 107' ' ' ARG . 91.7 mt-10 52.2 39.29 26.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.545 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.33 130.76 43.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.21 117.43 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.44 59.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 87.19 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.6 -70.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CE2' HD13 ' A' ' 53' ' ' ILE . 48.4 m95 -59.73 167.29 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.09 130.84 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -89.32 113.19 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 63.4 p-90 -73.04 -50.67 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -44.37 -31.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 122' ' ' TYR . 96.3 mt -97.46 -40.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.82 40.31 4.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 34.9 m -146.4 153.66 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 90.8 m-85 -96.4 118.81 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 pt -121.31 164.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -81.67 177.22 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.51 HG23 ' N ' ' A' ' 54' ' ' ARG . 5.8 tp -64.94 -48.09 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.8 -62.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' HA ' HD13 ' A' ' 58' ' ' ILE . 68.5 m -54.28 -45.54 72.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.78 -52.79 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.54 -48.78 7.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.0 mp -62.32 -44.51 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -52.58 -45.08 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 60' ' ' ARG . 29.0 mtp180 -53.25 -50.11 65.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -53.67 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 66' ' ' ILE . 33.5 mt -32.98 -50.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.04 133.56 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.5 m -47.72 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -79.61 -35.53 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 62' ' ' LEU . 36.6 mt -78.71 -54.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 51.2 m -159.64 130.49 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -98.54 152.92 19.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 56' ' ' ALA . 43.6 t -127.22 134.23 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -158.8 142.83 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 17.6 m -57.09 138.1 54.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.499 HG12 HD13 ' A' ' 20' ' ' LEU . 14.5 t -61.99 -47.22 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' LEU . 12.6 t30 -107.12 -65.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 30.2 mt -32.45 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -99.0 158.91 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.8 145.26 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.0 m95 -124.0 176.56 6.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.9 p -136.84 155.25 50.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -46.9 -50.56 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 6.4 mp0 -67.21 -49.83 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.8 mm -48.47 -62.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.6 -48.77 14.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 m -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -38.31 -47.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.645 HE21 HD11 ' A' ' 23' ' ' LEU . 14.8 mp0 -71.28 -44.84 64.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.62 -57.72 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.4 tpt -84.05 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.75 174.73 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 5.0 m-20 -68.51 -41.51 79.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.2 m -39.63 -64.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' LEU . 48.4 mttm -67.47 -47.57 69.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -39.29 -40.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -74.28 -38.61 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 92' ' ' LYS . 11.8 mt -76.65 -5.5 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 132' ' ' ALA . 1.0 OUTLIER -110.14 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 87.4 m-85 -73.61 -48.22 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -84.79 34.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.09 -37.9 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -89.14 18.39 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 105' ' ' PHE . 15.2 mt -76.22 145.14 76.14 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.98 46.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.19 -38.57 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.7 OUTLIER -100.13 38.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 107' ' ' ARG . 14.8 t80 -62.39 143.55 56.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -125.55 97.3 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 105' ' ' PHE . 18.8 ttp-105 -54.67 120.03 25.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.6 48.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.9 mp0 -108.05 -38.5 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.1 p -81.04 143.8 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 m-20 -52.11 -47.9 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.5 tp-100 -37.07 -44.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.84 -56.01 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 110' ' ' THR . 62.0 t -42.35 -66.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.577 ' OE2' HG23 ' A' ' 58' ' ' ILE . 5.9 tp10 -32.69 -55.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.72 -47.75 83.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 38.5 t80 -43.74 -61.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.79 -39.41 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -68.55 -8.71 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -124.83 -10.76 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 14.4 ttpt -93.73 -37.02 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 m-85 -106.62 -47.48 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.555 ' HG3' HD13 ' A' ' 66' ' ' ILE . 9.0 tt0 -65.48 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -72.54 -21.42 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.513 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 55.4 mmtt 58.17 36.85 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -57.16 -65.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 33.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.513 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 69.0 t80 -90.53 122.22 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -91.4 57.72 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.58 -28.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -45.96 -45.51 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.604 ' HB3' HD21 ' A' ' 96' ' ' LEU . . . -46.27 -41.11 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.499 ' O ' HG22 ' A' ' 133' ' ' ILE . 5.2 mp -103.81 66.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.39 12.12 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 45.5 mm -84.77 90.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -149.67 143.88 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.96 174.38 21.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -29.3 24.22 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 84.1 p -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.1 t -123.06 126.75 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -121.72 158.94 27.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.804 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.3 p -162.6 157.41 21.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.88 73.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -126.06 129.79 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -127.16 161.05 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.8 mptm? -105.8 84.79 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -36.54 -48.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -49.33 -44.8 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' LYS . 12.9 ttpp -71.77 -40.34 69.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.37 50.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -132.3 98.13 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -120.0 -57.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -152.05 133.58 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 82' ' ' ILE . 16.0 m170 -38.82 -64.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' HIS . 10.6 mm100 -36.24 -67.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -48.9 -60.08 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 89.3 mt -38.83 -58.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.67 HD13 HG12 ' A' ' 72' ' ' VAL . 22.9 mt -42.88 -42.84 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -68.43 -38.75 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -59.85 -36.15 76.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 10.8 mt -69.64 -42.6 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD21 ' CD1' ' A' ' 50' ' ' PHE . 79.0 mt -58.67 -44.6 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -49.68 -31.41 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -67.11 135.82 54.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 11.8 tt0 -51.7 -32.66 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -33.65 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 3.7 m-20 -116.95 26.96 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 9.6 mmtp -82.75 -17.8 42.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.42 164.61 29.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.2 t -51.38 156.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.16 5.68 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.64 -60.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -94.39 6.6 48.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' CG ' ' HD3' ' A' ' 107' ' ' ARG . 7.2 mm-40 40.28 35.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.632 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.31 149.96 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -81.73 107.53 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.62 63.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.21 -70.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.69 ' NE1' HD13 ' A' ' 53' ' ' ILE . 54.5 m95 -57.25 168.91 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.04 136.68 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.8 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.582 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 43.4 p-90 -67.44 -53.79 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.513 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 5.3 p-10 -33.89 -40.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.502 HG13 ' ND2' ' A' ' 46' ' ' ASN . 22.8 mt -95.4 -45.49 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.38 41.32 2.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 29.9 m -140.97 146.54 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.666 ' CD1' HD21 ' A' ' 24' ' ' LEU . 94.7 m-85 -90.54 123.85 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.7 pt -128.4 167.12 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.63 -178.88 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.69 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.2 tp -71.14 -35.89 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.76 -62.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 86.2 m -56.07 -44.62 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -45.07 -52.69 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -39.79 7.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 115' ' ' GLU . 3.3 mp -74.43 -37.31 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.45 -42.39 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 6.7 mtp-105 -56.5 -42.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' LEU . 4.2 m-20 -55.31 -47.38 75.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 66' ' ' ILE . 31.9 mt -34.41 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.05 144.49 5.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.5 m -57.2 -16.75 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.406 ' CD2' HG13 ' A' ' 66' ' ' ILE . 24.6 p-80 -88.74 -26.94 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 62' ' ' LEU . 21.4 mt -89.85 -47.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.513 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 45.5 t -156.29 146.74 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 25.9 mtm180 -124.15 93.87 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 56' ' ' ALA . 60.2 t -68.73 135.98 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -155.67 148.83 24.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.9 m -65.77 133.6 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 20' ' ' LEU . 2.2 t -62.4 -34.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.89 -67.41 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.8 mt -37.94 -34.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -94.06 159.9 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -95.61 119.12 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 18.5 m95 -99.78 166.27 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' ALA . 59.2 p -133.15 151.45 51.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.61 -49.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.64 -51.07 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.582 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -62.95 -25.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 16' ' ' HIS . 18.0 mm -80.94 -29.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -67.43 -28.92 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 85' ' ' MET . 13.0 p -81.22 -43.22 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 80.8 mmm -49.27 -42.0 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.5 OUTLIER -81.71 -59.86 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -42.71 -40.14 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -98.71 -74.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 -162.76 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -98.12 -28.25 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 90.6 m -59.37 -43.14 92.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -87.98 -37.38 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -59.68 -36.17 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' LEU . 31.6 ptt180 -71.85 -47.39 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.952 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 26.4 mt -68.45 -13.22 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.414 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 1.6 tm? -97.56 -67.65 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.88 -48.59 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.35 37.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.952 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -95.92 -43.79 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -89.1 23.42 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 105' ' ' PHE . 18.6 mt -59.74 152.5 57.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.43 66.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -51.92 -46.89 64.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -95.52 38.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CD1' HD22 ' A' ' 101' ' ' LEU . 37.6 t80 -59.95 147.59 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.427 ' HB3' ' NH1' ' A' ' 106' ' ' ARG . 20.4 ttp-105 -153.77 115.8 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 58.5 mtm-85 -52.71 125.39 37.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.04 41.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 27.8 tp60 -104.47 -40.08 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.5 t -81.71 126.02 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLN . 3.8 t70 -43.5 -50.8 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' ASP . 33.9 tt0 -37.01 -34.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.06 -49.08 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLU . 59.5 t -48.24 -63.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.467 ' CB ' HG12 ' A' ' 58' ' ' ILE . 12.8 tt0 -36.7 -56.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' ARG . 11.0 m-85 -58.97 -58.49 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 29.6 t80 -36.64 -53.24 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.8 -37.75 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.49 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 23.4 mtp85 -68.21 -59.42 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.81 -9.12 25.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 16.8 ttpp -95.3 -43.16 8.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . 3.9 tm-20 -64.29 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -73.83 -25.62 60.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 24.1 mmtp 61.45 40.13 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -61.36 -71.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.18 -18.69 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 86.4 t80 -47.96 118.22 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -89.21 114.74 26.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -90.11 -38.37 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ALA . 22.7 m-20 -46.03 -42.57 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . . . -36.01 -39.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.591 ' O ' HG22 ' A' ' 133' ' ' ILE . 5.4 mp -98.17 64.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -151.15 164.57 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.48 130.89 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.7 p -44.19 140.44 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -89.05 -158.19 33.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 143.68 51.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.3 p -131.51 146.19 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.7 t -118.06 -50.14 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.468 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -82.54 110.78 17.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -119.72 142.08 48.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.82 60.39 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -124.04 114.42 19.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -140.96 118.35 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.75 -145.13 4.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -121.34 94.34 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.17 -53.6 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -41.91 -35.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -83.78 -46.54 12.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -79.92 44.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -110.37 42.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -95.77 -45.43 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -78.03 88.65 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' A' ' 19' ' ' ILE . 19.2 m-70 -45.67 -68.09 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' HIS . 47.9 mm-40 -35.9 -53.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HG ' ' CE ' ' A' ' 22' ' ' LYS . 60.9 tp -55.43 -53.9 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 16' ' ' HIS . 16.5 mt -49.85 -61.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 77' ' ' TRP . 38.1 mt -41.81 -43.84 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -66.02 -40.88 91.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' CE ' ' HG ' ' A' ' 18' ' ' LEU . 13.5 mttm -55.55 -44.06 76.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.766 HD11 HE21 ' A' ' 86' ' ' GLN . 27.8 mt -57.4 -49.46 76.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 50' ' ' PHE . 79.9 mt -57.58 -42.55 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -53.32 -43.85 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -44.91 158.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.85 25.04 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' CG ' ' HB2' ' A' ' 90' ' ' ASN . 2.8 t70 -120.16 -37.07 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -106.02 27.07 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -72.66 -27.05 61.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.6 m-85 -133.71 175.1 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.7 t -61.38 165.42 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.23 -3.63 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 36.0 m-20 -120.87 -54.12 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 22.8 p -106.56 10.13 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 49.6 mm-40 36.89 39.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -59.46 156.44 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -86.63 106.57 17.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.12 64.09 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 86.56 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -62.1 162.0 10.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -159.52 120.51 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -80.76 101.57 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 69.1 p-90 -66.03 -47.89 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 17.3 t-20 -43.74 -39.08 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.788 HD11 ' OG ' ' A' ' 67' ' ' SER . 71.9 mt -90.08 -50.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.0 41.8 1.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.8 m -151.07 152.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.51 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 87.5 m-85 -93.7 125.6 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.78 169.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.49 178.25 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.2 tt -70.39 -38.14 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -56.38 -62.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 72.3 m -57.85 -40.08 79.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.671 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -47.38 -53.07 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.7 -38.84 30.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 54' ' ' ARG . 4.5 mp -72.5 -41.91 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.54 -52.23 48.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.7 mtp-105 -45.61 -50.8 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' LEU . 83.1 m-20 -48.57 -48.41 38.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 66' ' ' ILE . 33.1 mt -36.8 -52.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.35 137.73 3.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.0 m -50.58 -26.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.0 p-80 -75.47 -28.59 59.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 62' ' ' LEU . 32.8 mt -89.05 -56.75 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.788 ' OG ' HD11 ' A' ' 47' ' ' ILE . 49.4 m -149.88 130.27 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -109.88 76.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HB1' ' A' ' 56' ' ' ALA . 96.6 t -40.84 130.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -138.57 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.1 p -102.51 135.66 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 43' ' ' ALA . 3.4 t -69.79 -52.39 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 74' ' ' LEU . 62.5 t30 -89.26 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 73' ' ' ASN . 47.4 mt -32.35 -48.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -101.04 163.13 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.97 160.84 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.589 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 16.8 m95 -129.19 143.3 50.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.0 p -106.58 155.55 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.66 -46.16 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.73 -64.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.9 -47.2 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -47.3 -56.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -50.54 -44.59 56.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -52.51 -45.36 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -50.7 -58.69 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.766 HE21 HD11 ' A' ' 23' ' ' LEU . 12.3 mp0 -58.51 -46.09 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.96 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.03 -72.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 170.82 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.8 m120 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' ASN . 93.8 m -34.49 -67.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 95' ' ' LEU . 29.8 mtpt -64.11 -52.22 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -35.88 -37.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -74.34 -44.36 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' LYS . 14.4 mt -69.58 -7.61 40.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.536 ' CD2' ' CB ' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -110.22 -63.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' TYR . 80.2 m-85 -73.86 -46.26 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.36 36.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.07 -41.72 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -81.53 14.1 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.933 HD22 ' CD2' ' A' ' 105' ' ' PHE . 52.2 mt -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.98 64.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -49.27 -42.45 40.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -101.75 43.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.933 ' CD2' HD22 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -63.81 161.12 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 ppt_? -144.87 128.36 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.449 ' HB3' ' NH1' ' A' ' 107' ' ' ARG . 5.0 ptp180 -87.48 137.46 32.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.43 27.87 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -88.92 -43.69 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 p -74.36 136.34 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 p-10 -50.41 -56.05 13.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.3 pt20 -32.74 -44.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.88 -57.68 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 94.3 t -37.77 -57.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -43.63 -52.98 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.49 -56.93 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 34.6 t80 -42.63 -55.3 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.427 HD11 ' SG ' ' A' ' 55' ' ' CYS . 73.8 mt -61.15 -35.51 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 41.2 mtt180 -65.04 -57.0 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 5.5 m-20 -70.45 -13.82 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 44.8 tttt -86.33 -45.3 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.561 ' CE2' HD13 ' A' ' 47' ' ' ILE . 51.7 m-85 -98.99 -51.95 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.1 tt0 -60.53 -71.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.484 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -64.94 -24.07 67.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 62.3 32.04 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -51.95 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 3.8 m-85 -82.81 36.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -99.55 118.86 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.85 104.65 17.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' ASN . 16.9 pttp -75.52 -41.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' LYS . 5.9 t-20 -37.83 -45.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.536 ' CB ' ' CD2' ' A' ' 96' ' ' LEU . . . -37.18 -44.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.695 ' O ' HG22 ' A' ' 133' ' ' ILE . 49.8 mm 33.2 54.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -128.28 18.96 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.24 170.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.9 t -110.59 -55.82 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -129.23 118.45 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.66 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.9 p -152.81 161.49 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -76.84 143.99 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -168.78 125.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -140.65 160.28 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.31 115.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -76.1 100.92 5.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -100.14 41.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 164.81 12.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HE3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -97.71 -57.62 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.35 42.7 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -75.19 -49.41 19.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -56.35 -40.75 75.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.82 -61.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -54.14 164.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -133.25 78.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -97.13 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.803 ' NE2' ' HB2' ' A' ' 79' ' ' ALA . 6.2 m170 -54.37 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' HIS . 51.9 mm-40 -34.18 -62.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.96 -52.73 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 16' ' ' HIS . 36.0 mt -49.56 -59.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.5 mt -45.55 -41.67 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -72.51 -36.97 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.34 -41.45 76.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.746 HD11 HE21 ' A' ' 86' ' ' GLN . 14.8 mt -63.68 -51.18 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 50' ' ' PHE . 57.4 mt -52.07 -49.46 63.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -41.11 -42.79 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.02 140.42 37.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 17.0 tt0 -55.99 -34.85 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.27 -17.69 59.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -126.1 21.17 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 16.3 mmtp -78.67 -22.27 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -138.38 158.98 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 14.7 t -44.45 155.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.43 1.09 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -126.27 -72.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.0 p -82.42 -2.11 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 16.2 mm-40 47.37 42.99 14.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.62 176.71 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.69 105.64 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . 107.94 63.42 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' ARG . 53.8 Cg_endo -69.79 18.97 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.581 ' O ' HG21 ' A' ' 72' ' ' VAL . 13.3 mmt180 -27.18 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' PRO . 65.1 m95 -45.78 152.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -156.48 147.44 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.61 87.32 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.47 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 27.5 p-90 -46.11 -40.74 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 25.5 t-20 -46.55 -40.82 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 122' ' ' TYR . 88.1 mt -97.34 -48.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.1 41.7 1.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 26.1 m -141.19 155.2 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -98.79 119.03 36.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 56' ' ' ALA . 22.6 pt -121.16 166.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.91 -175.72 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 54' ' ' ARG . 2.8 tp -73.49 -42.03 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.3 tmm_? -55.21 -66.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.855 ' HA ' HD12 ' A' ' 58' ' ' ILE . 94.3 m -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.797 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -39.34 -45.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.97 73.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.2 mt -67.43 -40.85 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.503 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 9.3 m-70 -55.95 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -53.15 -45.5 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' LEU . 97.6 m-20 -52.0 -50.96 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 17.8 mt -36.9 -53.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 132.86 132.62 3.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 m -40.86 -34.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.9 p-80 -66.87 -40.38 87.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 65' ' ' HIS . 25.1 mt -79.62 -55.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 t -143.78 154.21 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -133.22 98.19 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.797 HG11 ' HB1' ' A' ' 56' ' ' ALA . 58.7 t -74.65 139.24 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 11.4 ptmm? -164.58 134.39 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.61 165.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 41' ' ' ARG . 2.7 t -90.48 -40.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -104.81 -53.7 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 38.1 mt -49.12 -33.81 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.6 155.92 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -90.06 130.41 36.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 18.1 m95 -117.23 168.2 10.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 46.7 p -133.54 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.803 ' HB2' ' NE2' ' A' ' 16' ' ' HIS . . . -36.41 -44.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.65 -55.22 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -63.02 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.7 mm -50.03 -56.7 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -40.6 -49.13 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' MET . 93.7 m -49.64 -58.75 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.485 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 83.8 mmm -34.33 -59.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.746 HE21 HD11 ' A' ' 23' ' ' LEU . 19.6 mp0 -63.08 -48.51 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.91 -53.6 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.1 tpt -86.6 -73.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.83 167.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 m120 -62.17 -44.37 96.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 59.2 m -37.52 -66.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -63.13 -50.75 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.81 -44.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -69.62 -43.93 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.55 -4.87 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.536 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -110.16 -68.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 122' ' ' TYR . 83.4 m-85 -76.7 -44.77 32.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.691 ' HG3' HD11 ' A' ' 101' ' ' LEU . 23.2 tt0 -89.47 36.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.92 -34.13 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.444 ' HB2' ' C ' ' A' ' 127' ' ' TYR . 6.0 m120 -90.9 19.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.691 HD11 ' HG3' ' A' ' 98' ' ' GLU . 18.4 mt -63.83 154.87 79.64 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.78 68.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.12 -25.9 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.48 ' ND2' ' O ' ' A' ' 104' ' ' ASN . 1.7 p-10 -117.96 44.12 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.1 144.34 56.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -134.88 103.6 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -52.93 117.5 11.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.51 40.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -105.43 -37.91 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.3 p -85.06 128.75 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.8 m-20 -41.59 -47.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' ASP . 11.1 tt0 -34.82 -43.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -90.18 -52.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.8 t -42.65 -54.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.448 ' HA ' HG21 ' A' ' 58' ' ' ILE . 17.4 tt0 -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' ARG . 41.3 m-85 -76.24 -58.57 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.57 ' CZ ' ' HE3' ' A' ' 121' ' ' LYS . 25.9 t80 -34.12 -51.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.56 -40.04 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.9 mtp-105 -64.25 -60.19 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 3.6 m-20 -65.05 -11.47 39.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 117' ' ' PHE . 10.2 ttmt -89.29 -42.96 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 47' ' ' ILE . 52.0 m-85 -106.73 -48.6 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' ARG . 13.3 tt0 -59.59 -57.69 11.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 35.8 mmtm -80.34 -23.24 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm 63.04 31.1 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -54.88 -66.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.444 ' C ' ' HB2' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -83.95 35.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' A' ' 96' ' ' LEU . 55.5 t80 -91.48 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' A' ' 96' ' ' LEU . 5.3 t70 -102.18 111.65 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -88.42 -29.88 19.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -49.66 -42.56 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -49.09 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.6 mt -40.67 -57.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -43.74 129.15 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.29 140.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.8 t -76.12 52.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -172.43 -167.2 32.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.1 Cg_endo -69.75 -24.13 30.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' PRO . 24.8 m -35.82 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.3 p -135.9 135.56 39.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.462 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -156.42 151.22 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -66.09 160.54 23.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.0 -105.1 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -73.78 173.24 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -85.99 101.37 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.33 84.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -54.18 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.97 41.23 18.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -92.34 -47.16 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LEU . 17.7 tptm -78.92 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' LYS . 7.7 tp -37.49 -41.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.04 97.72 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.92 42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -86.15 109.03 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 10.0 m-70 -50.4 -71.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' HIS . 3.3 mm100 -35.77 -69.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 4.0 tt -39.64 -54.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.83 -51.85 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.18 -38.8 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -67.66 -46.04 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 49.0 mttt -46.58 -48.87 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.86 HD11 ' OE1' ' A' ' 86' ' ' GLN . 16.8 mt -54.15 -57.26 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 29' ' ' ASN . 46.4 mt -58.64 -20.09 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -106.33 37.81 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -130.65 31.79 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 43.87 25.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.21 -43.06 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' HB2' HD23 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -113.19 29.48 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.47 -32.26 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 15.5 m-85 -134.41 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 30.0 t -57.24 163.84 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -2.89 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.58 -71.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 25.1 p -79.19 -4.41 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 14.4 mm-40 50.09 40.82 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.29 153.83 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -85.92 114.43 22.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.82 58.32 0.94 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -62.61 -71.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -55.98 167.2 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -163.63 127.57 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -82.4 112.44 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CE3' ' OE1' ' A' ' 81' ' ' GLN . 56.3 p-90 -72.18 -44.63 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -48.29 -45.16 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.0 mt -85.75 -41.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.34 4.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.03 163.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.52 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 96.4 m-85 -102.96 115.65 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.6 pt -119.76 159.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -74.87 -178.63 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 54' ' ' ARG . 17.1 tt -72.27 -41.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.495 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.8 tmm_? -55.86 -65.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.0 m -49.43 -50.15 41.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.647 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -40.11 -50.68 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.47 -49.4 8.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.9 mp -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -49.38 -47.18 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.28 -45.67 80.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 44.0 m-20 -53.95 -51.24 64.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 66' ' ' ILE . 31.9 mt -33.35 -52.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.05 137.01 3.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.2 m -52.48 -27.22 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.413 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.8 p-80 -78.08 -23.83 47.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.546 HD13 ' HG3' ' A' ' 123' ' ' GLU . 39.3 mt -91.35 -58.42 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -157.68 139.0 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -106.35 171.62 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.647 HG11 ' HB1' ' A' ' 56' ' ' ALA . 86.7 t -138.93 142.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 13.9 ptmm? -169.25 149.58 4.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.28 171.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 43' ' ' ALA . 21.5 t -101.18 -30.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -119.29 -52.61 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.551 ' H ' HD12 ' A' ' 74' ' ' LEU . 4.3 mp -46.21 -28.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.66 144.2 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -83.09 121.18 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.532 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 11.5 m0 -97.4 170.08 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -126.69 141.19 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -38.13 -45.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.16 -45.17 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.589 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 13.8 mm-40 -73.42 -41.41 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' HIS . 50.0 mm -49.69 -62.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.4 tp60 -34.27 -54.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 76.1 m -40.9 -59.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLY . 94.2 mmm -36.11 -57.95 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.86 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.9 mp0 -63.22 -53.9 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -43.66 -43.75 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.2 tpt -99.64 -74.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' MET . . . 63.73 167.37 1.06 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 3.3 m-20 -62.87 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 m -38.53 -65.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.93 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.08 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.868 HH11 HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -74.24 -37.32 63.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.868 HD23 HH11 ' A' ' 94' ' ' ARG . 11.5 mt -82.63 -3.34 56.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 88.9 m-85 -70.08 -50.09 44.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 101' ' ' LEU . 36.0 mt-10 -86.87 36.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -97.8 -31.86 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -97.31 20.68 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 98' ' ' GLU . 16.4 mt -68.61 145.41 97.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.981 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.69 61.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -49.48 -42.4 43.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.2 p30 -99.46 40.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.469 ' CD1' HD22 ' A' ' 101' ' ' LEU . 16.1 t80 -62.75 154.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 68.5 ttt180 -147.9 119.39 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 9.9 mtm-85 -67.06 139.02 95.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.468 ' CG ' ' HA ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.84 136.01 31.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -103.59 -37.13 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 111' ' ' ASP . 5.9 t -90.03 125.82 35.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 110' ' ' THR . 3.5 t0 -34.28 -54.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.4 mt-30 -35.51 -64.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.73 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 86.2 t -38.96 -54.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -49.14 -53.49 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -56.98 -51.37 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.542 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 71.2 t80 -46.6 -41.57 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 65.9 mt -81.9 -33.05 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -73.78 -7.45 52.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.92 -15.43 6.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 17.8 tttp -87.82 -45.6 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 33.8 m-85 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.546 ' HG3' HD13 ' A' ' 66' ' ' ILE . 3.4 tt0 -60.87 -70.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -65.06 -21.19 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 42.2 mmtt 60.25 39.95 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -61.63 -72.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.419 ' CD2' HD23 ' A' ' 101' ' ' LEU . 7.0 m-85 -66.94 -12.96 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.537 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 83.8 t80 -53.69 120.0 5.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 131' ' ' ASN . 10.2 t70 -93.41 115.02 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -15.37 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 129' ' ' ASP . 2.3 p-10 -71.22 -33.1 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -44.89 -41.48 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.766 ' O ' HG22 ' A' ' 133' ' ' ILE . 18.0 mt -95.09 63.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' ILE . . . -88.91 20.55 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' ALA . 20.1 pt -36.45 153.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 m 57.56 45.3 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -141.09 134.98 6.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -26.32 27.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.77 111.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 16.0 t -50.83 -55.23 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -146.79 128.36 15.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -167.12 144.19 4.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.28 160.82 13.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -143.16 147.53 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -90.52 163.06 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.72 -128.34 6.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt 45.27 40.06 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.89 -55.02 2.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.091 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' NE2' ' HG2' ' A' ' 86' ' ' GLN . 27.0 mt-30 -51.06 -50.51 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLN . 3.6 mmmp? -38.09 -36.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -72.97 -51.66 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' OD1' ' HA ' ' A' ' 10' ' ' GLN . 12.0 p30 -83.0 134.11 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' GLN . 13.3 tt0 -120.2 -44.14 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' GLU . 2.3 pm0 -37.4 100.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.451 ' HA ' HD12 ' A' ' 19' ' ' ILE . 40.0 m-70 -47.36 -59.95 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' HIS . 13.7 mp0 -33.88 -62.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD21 ' HE3' ' A' ' 22' ' ' LYS . 11.1 tp -46.71 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 16' ' ' HIS . 43.4 mt -35.04 -68.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 72' ' ' VAL . 10.6 mt -42.94 -45.25 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -64.76 -38.87 92.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HE3' HD21 ' A' ' 18' ' ' LEU . 36.4 mttt -59.79 -36.37 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 42.3 mt -67.55 -55.05 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 50' ' ' PHE . 56.9 mt -48.09 -43.27 30.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -45.96 -33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -66.21 137.69 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.6 -31.68 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 91' ' ' THR . 2.5 t70 -67.35 -24.28 65.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -117.94 13.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -77.4 -24.19 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -132.48 157.71 43.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.5 t -47.05 161.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.07 2.75 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -129.07 -57.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.2 p -100.67 9.56 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 8.3 mt-10 37.34 38.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.612 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.77 173.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -100.81 103.88 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.9 63.24 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 81.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -46.06 167.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -161.4 148.38 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -109.92 106.82 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 51.5 p-90 -68.1 -53.93 21.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 5.7 t30 -35.04 -45.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.6 HD13 ' CE1' ' A' ' 122' ' ' TYR . 79.0 mt -90.43 -45.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 46.81 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.427 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.9 m -152.02 150.36 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CD2' HD21 ' A' ' 24' ' ' LEU . 88.4 m-85 -92.63 122.27 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.85 157.56 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.68 173.04 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 54' ' ' ARG . 8.6 tt -61.59 -49.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.61 -59.7 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.3 m -56.15 -45.06 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.878 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.64 -54.1 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.82 -51.9 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -61.14 -38.6 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.84 -35.62 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 39.7 mtp180 -62.4 -46.94 86.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.7 -48.35 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 18.5 mt -32.92 -49.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.89 142.89 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 m -56.93 -15.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -88.51 -38.94 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 62' ' ' LEU . 20.1 mt -76.15 -49.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -166.1 142.62 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -113.15 150.51 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.878 HG11 ' HB1' ' A' ' 56' ' ' ALA . 41.1 t -124.58 137.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -159.1 139.73 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 14.3 m -54.16 152.7 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.546 HG12 HD13 ' A' ' 20' ' ' LEU . 2.7 t -81.33 -51.71 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -95.25 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 56.2 mt -42.42 -42.03 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.3 159.96 14.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -93.76 156.67 16.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.591 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 19.0 m95 -130.19 173.69 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' ALA . 22.7 p -136.67 144.99 44.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.82 -45.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -48.59 -53.85 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.6 mp0 -72.25 -48.21 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.405 HD13 ' HA ' ' A' ' 82' ' ' ILE . 14.2 mm -44.95 -53.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -51.68 -43.27 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 30.5 t -53.37 -57.78 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' CYS . 87.6 mmm -35.38 -53.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.462 ' HG2' ' NE2' ' A' ' 10' ' ' GLN . 1.2 mp0 -68.66 -50.13 53.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -43.6 -46.07 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.5 tpt -94.34 -73.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.76 156.72 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.4 m120 -53.29 -52.02 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASN . 31.3 m -33.25 -63.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -64.17 -50.71 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.427 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -41.96 -33.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -76.41 -48.56 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.58 -6.8 16.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.554 ' CD2' ' HB3' ' A' ' 132' ' ' ALA . 0.6 OUTLIER -110.85 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 122' ' ' TYR . 77.3 m-85 -73.93 -48.0 33.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.467 ' HG2' HD11 ' A' ' 101' ' ' LEU . 18.1 mt-10 -86.94 36.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.11 -34.85 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.7 m120 -95.91 23.05 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 105' ' ' PHE . 23.1 mt -73.62 155.74 89.02 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.16 50.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.284 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.74 -46.03 85.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.91 43.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.543 ' CD2' HD13 ' A' ' 101' ' ' LEU . 9.3 t80 -60.32 144.04 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -143.53 130.24 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -69.71 126.84 92.77 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.79 36.33 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -101.83 -40.16 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.7 p -76.28 138.24 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -54.59 -44.26 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -43.81 -49.94 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 110' ' ' THR . 86.4 t -39.93 -58.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.69 -53.41 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 119' ' ' ARG . 18.3 m-85 -67.88 -58.46 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 11.8 t80 -36.61 -50.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.19 -40.77 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.6 mtp-105 -65.38 -59.06 4.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 7.6 m-20 -64.3 -17.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 43.2 tttt -85.43 -44.49 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.6 ' CE1' HD13 ' A' ' 47' ' ' ILE . 72.3 m-85 -99.98 -53.38 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.601 ' HG3' HD13 ' A' ' 66' ' ' ILE . 6.0 tt0 -57.78 -60.97 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.1 mmmt -76.25 -17.61 59.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.529 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 27.7 mmtm 57.78 27.95 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -47.76 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.3 m-85 -83.27 37.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.529 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 34.6 t80 -96.73 121.55 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.76 58.91 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' ASN . 21.1 pttm -43.82 -39.41 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' LYS . 1.8 m120 -37.41 -45.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.554 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 9.4 mt -59.58 -39.14 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 133' ' ' ILE . . . 72.28 30.23 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 134' ' ' ALA . 3.6 mp -33.06 126.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.1 p -45.67 118.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -38.12 144.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.31 66.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.2 m -65.68 166.22 11.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 43.2 p -70.02 164.39 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -78.91 147.06 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -80.43 -48.71 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.24 -63.61 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -162.94 167.51 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t 60.73 41.89 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.35 173.64 13.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' ALA . 18.1 tptt -164.42 115.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -37.54 -59.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -44.27 -43.66 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 25.2 tp -37.67 -54.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -54.13 119.39 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.599 ' HB2' HD13 ' A' ' 18' ' ' LEU . 8.6 mt-10 -90.33 -42.45 10.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.415 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 1.4 pt20 -174.93 157.36 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.566 ' HA ' HD12 ' A' ' 19' ' ' ILE . 3.0 m80 -53.68 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.4 mm-40 -37.48 -51.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 14' ' ' GLU . 2.4 tt -57.25 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 16' ' ' HIS . 24.1 mt -35.43 -63.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD13 HG12 ' A' ' 72' ' ' VAL . 41.8 mt -35.84 -46.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 t -63.89 -42.57 97.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HE3' HD22 ' A' ' 18' ' ' LEU . 14.8 mttm -57.44 -35.22 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.775 HD11 HE21 ' A' ' 86' ' ' GLN . 24.8 mt -68.83 -50.37 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.8 HD21 ' CD2' ' A' ' 50' ' ' PHE . 40.6 mt -54.59 -46.42 73.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -45.63 -39.27 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -58.82 130.85 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' H ' ' CD ' ' A' ' 27' ' ' GLU . 1.2 pm0 -47.84 -28.73 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -65.77 -36.7 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 1.5 m-20 -115.18 29.51 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 23.6 mttp -84.01 -33.83 24.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.3 m-85 -123.87 157.94 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.7 t -43.62 161.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.08 0.35 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.7 -56.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 21.5 p -100.76 5.06 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 7.9 pt-20 40.58 42.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -61.28 165.32 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -92.08 105.46 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.43 60.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.8 Cg_endo -69.75 84.27 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.492 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.69 -75.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.462 ' HE1' HD12 ' A' ' 53' ' ' ILE . 72.8 m95 -46.2 164.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -160.83 121.49 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -79.77 97.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 46' ' ' ASN . 61.6 p-90 -61.1 -50.65 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.664 ' N ' ' CE3' ' A' ' 45' ' ' TRP . 25.8 t-20 -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.14 -47.91 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.79 44.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 90' ' ' ASN . 35.7 m -154.46 164.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.8 ' CD2' HD21 ' A' ' 24' ' ' LEU . 97.4 m-85 -100.34 125.13 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.17 155.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.4 170.28 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HE1' ' A' ' 42' ' ' TRP . 8.7 tt -64.22 -34.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' HD12 ' A' ' 58' ' ' ILE . 6.3 tmm_? -60.67 -53.06 62.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.42 -46.69 82.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.811 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -42.95 -47.29 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.41 75.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.952 HG23 ' OE2' ' A' ' 115' ' ' GLU . 4.5 mp -71.82 -32.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -59.84 -45.6 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.1 mtp-105 -48.71 -48.84 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.6 m-80 -49.06 -51.02 33.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 66' ' ' ILE . 18.9 mt -34.69 -53.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.15 139.95 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -49.51 -29.96 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.2 p-80 -70.97 -33.91 70.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.586 HD13 ' HG3' ' A' ' 123' ' ' GLU . 13.9 mt -84.54 -45.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -165.5 145.81 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mtt180 -121.63 91.72 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.811 HG21 ' O ' ' A' ' 56' ' ' ALA . 72.9 t -55.25 128.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HD2' ' CD1' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -152.35 142.4 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 58.2 m -54.1 174.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.594 HG12 HD13 ' A' ' 20' ' ' LEU . 5.8 t -109.03 -48.46 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.69 -36.25 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.46 -31.12 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -98.53 158.33 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.28 137.33 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 11.6 m0 -120.45 178.12 4.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 p -148.56 160.21 43.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.89 -43.33 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.82 -62.37 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -62.88 -45.16 93.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 82' ' ' ILE . 26.2 mm -50.87 -61.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -45.53 -44.62 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.95 -59.14 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.8 mmm -40.15 -50.53 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.775 HE21 HD11 ' A' ' 23' ' ' LEU . 19.5 mp0 -67.68 -45.23 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.45 -61.88 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -82.39 -72.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.64 171.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.459 ' HA ' HG12 ' A' ' 49' ' ' VAL . 1.5 m-20 -63.22 -41.76 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.0 m -40.22 -71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.5 -46.49 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -42.31 -38.91 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -69.64 -46.31 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 17.6 mt -69.29 -10.31 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -104.41 -68.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 97.2 m-85 -71.87 -46.02 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -92.12 36.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -102.26 -37.15 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.66 17.19 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.628 HD22 ' CD1' ' A' ' 105' ' ' PHE . 24.9 mt -76.81 150.19 81.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 157.69 59.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.389 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.46 -50.39 67.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.26 41.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.628 ' CD1' HD22 ' A' ' 101' ' ' LEU . 8.9 t80 -59.97 148.64 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -140.83 138.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -83.86 138.31 40.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.25 19.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -91.43 -39.79 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.6 p -82.33 131.82 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -46.07 -48.36 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.7 OUTLIER -37.32 -44.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -80.16 -61.03 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 113' ' ' ALA . 54.7 t -33.83 -61.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.952 ' OE2' HG23 ' A' ' 58' ' ' ILE . 3.8 tp10 -40.86 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ARG . 28.3 m-85 -68.59 -58.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.9 t80 -36.82 -48.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.34 -40.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.456 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 55.3 mtt180 -63.09 -57.18 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -22.06 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 19.2 tttp -76.65 -48.23 19.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.675 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 50.4 m-85 -99.44 -68.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HG3' HD13 ' A' ' 66' ' ' ILE . 13.2 tt0 -39.88 -59.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -77.35 -20.19 55.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 44.7 mmtm 62.9 25.25 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -44.12 -68.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 101' ' ' LEU . 4.7 m-85 -83.56 34.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 62.8 t80 -89.65 122.14 32.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -92.84 65.06 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -52.71 -32.17 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' N ' ' HD2' ' A' ' 130' ' ' LYS . 89.1 m-20 -52.51 -40.51 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.13 -18.03 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.596 ' O ' HG22 ' A' ' 133' ' ' ILE . 30.2 mm -82.45 60.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.93 140.54 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 6.0 mm 44.82 51.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.4 t -124.83 122.09 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 90.38 146.6 16.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -39.5 6.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 46.2 m -72.12 123.23 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.492 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -159.35 161.97 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -92.87 93.92 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.94 89.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -91.55 123.7 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -159.22 148.37 18.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.73 79.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.6 44.86 13.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.62 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -103.69 -34.36 8.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.786 ' O ' HD11 ' A' ' 19' ' ' ILE . 4.4 mm? -58.81 -43.29 90.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -44.06 -52.24 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.08 -51.28 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' OE1' HD22 ' A' ' 18' ' ' LEU . 21.0 tt0 -102.89 92.99 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.707 ' HA ' HD12 ' A' ' 19' ' ' ILE . 16.4 m-70 -64.66 -60.35 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' HIS . 45.8 mm-40 -33.07 -66.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' OE1' ' A' ' 15' ' ' GLN . 13.9 tp -43.23 -52.47 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.786 HD11 ' O ' ' A' ' 12' ' ' LEU . 64.0 mt -48.17 -65.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.02 -49.37 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 t -62.66 -38.42 90.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -60.56 -40.2 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 31.1 mt -62.94 -50.64 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD21 ' CD2' ' A' ' 50' ' ' PHE . 70.7 mt -51.37 -46.07 62.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -44.06 -40.83 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.24 131.13 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -46.51 -32.57 3.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.32 -37.9 82.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -114.37 25.24 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 43.6 mttt -81.75 -30.31 32.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.47 166.51 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.0 t -57.92 166.47 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.43 -6.46 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.49 -50.39 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.0 p -110.82 11.76 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.7 mm-40 35.39 36.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.05 161.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -91.08 106.54 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.85 58.82 1.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.1 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.325 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 72' ' ' VAL . 9.9 tpp85 -58.18 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' ARG . 62.6 m95 -44.08 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.98 135.33 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.051 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -91.63 109.91 21.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 48.6 p-90 -68.78 -55.63 10.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.1 p30 -37.81 -46.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 95.7 mt -83.03 -47.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.22 40.49 2.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.511 HG11 ' CB ' ' A' ' 93' ' ' ALA . 34.6 m -145.33 159.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.629 ' CD2' HD21 ' A' ' 24' ' ' LEU . 96.6 m-85 -98.22 122.53 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -124.47 160.35 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.3 175.65 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 54' ' ' ARG . 15.9 tt -65.38 -43.01 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.569 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.1 tmm_? -54.54 -60.49 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 61.7 m -55.46 -48.18 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.676 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.88 -49.9 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.29 12.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -66.9 -46.34 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -45.56 -50.12 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -48.22 -47.78 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' LEU . 10.0 m-20 -54.14 -52.32 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 61' ' ' ASN . 38.3 mt -32.13 -54.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 139.66 3.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 m -52.88 -31.14 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.4 p-80 -71.19 -35.94 71.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' ' 65' ' ' HIS . 45.9 mt -79.46 -60.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 t -158.36 133.61 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -100.99 167.46 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.676 HG11 ' HB1' ' A' ' 56' ' ' ALA . 65.3 t -138.57 132.99 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -156.92 145.45 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.2 m -54.94 158.56 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 41' ' ' ARG . 11.5 t -88.48 -45.67 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 1.5 p30 -105.71 -48.19 3.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.7 mt -49.18 -42.47 40.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.18 168.62 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -91.66 165.58 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 26.8 m95 -142.9 -179.89 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -149.32 149.3 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.98 -49.36 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -45.28 -43.54 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -82.11 -47.05 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 38.2 mm -52.31 -59.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.445 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 3.9 tp-100 -46.19 -42.3 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.6 m -59.89 -52.3 66.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 79.0 mmm -39.03 -46.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.445 ' NE2' ' HA ' ' A' ' 83' ' ' GLN . 2.1 mp0 -75.22 -46.96 30.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -49.16 -44.57 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.0 tpt -95.47 -72.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.11 178.98 5.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.93 -40.68 65.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.6 m -40.43 -65.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 93' ' ' ALA . 57.9 mttm -63.64 -50.46 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.511 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -37.1 -41.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.16 -47.6 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 20.2 mt -65.87 -10.47 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.6 tm? -105.46 -64.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 127' ' ' TYR . 96.1 m-85 -75.61 -47.16 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -84.53 30.52 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -99.67 -41.08 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 12.6 m120 -82.48 16.15 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 127' ' ' TYR . 20.4 mt -82.5 142.84 46.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 140.2 42.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -44.5 -39.97 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -100.88 39.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.453 ' CD1' HD22 ' A' ' 101' ' ' LEU . 14.8 t80 -63.93 141.97 58.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -111.58 121.62 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -83.09 130.05 58.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.407 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.6 mm100 -101.87 -40.39 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 114' ' ' VAL . 20.8 p -88.65 156.12 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -59.25 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 12.3 pt20 -35.71 -40.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -85.32 -59.56 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 95.5 t -41.82 -52.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -44.27 -52.6 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.21 -49.09 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.597 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 39.1 t80 -41.46 -51.78 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.2 mt -69.21 -38.04 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 19.9 mtp180 -71.93 -6.76 44.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -119.99 -23.55 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 25.0 ttpt -84.45 -47.11 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 56.6 m-85 -95.97 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.48 ' HG3' HD13 ' A' ' 66' ' ' ILE . 2.4 tt0 -48.02 -62.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 30.3 mtpp -73.85 -23.42 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.534 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 41.9 mmtt 65.18 27.23 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -47.1 -64.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 101' ' ' LEU . 4.3 m-85 -88.38 37.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.534 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 57.0 t80 -96.66 118.01 32.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.5 103.56 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -38.75 28.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -42.29 -39.48 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -45.79 -41.34 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.742 ' O ' HG22 ' A' ' 133' ' ' ILE . 47.4 mm 35.36 54.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.89 178.71 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 54.3 mt -38.99 110.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.8 t -149.95 149.84 30.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 138' ' ' PRO . . . -92.17 -144.3 13.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 137' ' ' GLY . 53.7 Cg_endo -69.74 6.66 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.5 t -81.97 111.78 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -118.14 178.3 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -166.82 121.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -92.3 91.6 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.9 -147.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -129.66 143.58 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -90.95 108.62 19.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.92 58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.4 mppt? -103.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.3 -61.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -47.14 -28.55 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' LEU . 3.3 tppp? -69.13 -58.45 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.3 tt -34.09 -50.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -52.45 135.38 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.92 91.42 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -138.98 119.92 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.67 ' HA ' HD12 ' A' ' 19' ' ' ILE . 27.2 m170 -62.96 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -41.12 -54.58 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.31 -53.63 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 16' ' ' HIS . 58.7 mt -43.96 -64.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD13 HG12 ' A' ' 72' ' ' VAL . 15.2 mt -38.56 -45.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -63.47 -46.57 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -39.77 58.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 23.5 mt -63.1 -53.87 46.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.81 -40.72 56.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -49.69 -40.35 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.69 138.05 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 48.8 mt-10 -52.03 -35.42 46.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.41 -29.04 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.5 29.76 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 21.3 mmtt -85.52 -20.62 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.14 158.95 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.38 160.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.65 3.9 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -130.4 -56.25 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 19.0 p -99.53 9.72 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 40.12 34.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.673 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -59.71 147.81 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -83.76 111.93 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 40' ' ' PRO . . . 93.03 54.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.496 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 39' ' ' GLY . 53.9 Cg_endo -69.76 79.85 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -55.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -43.85 167.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.66 149.28 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -106.93 110.19 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 31.8 p-90 -70.14 -57.19 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' TRP . 17.6 t-20 -35.0 -47.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.608 HD13 ' CE2' ' A' ' 122' ' ' TYR . 82.1 mt -85.08 -48.63 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.4 39.94 2.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.14 148.91 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 98.5 m-85 -91.85 124.86 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.4 pt -128.72 159.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.94 -174.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.65 -20.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' NH2' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -75.03 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 85.8 m -55.49 -42.47 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.76 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.37 -51.38 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.87 -41.9 21.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.59 -29.39 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -67.29 -49.5 64.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' HB3' ' CZ ' ' A' ' 60' ' ' ARG . 6.5 mtp-105 -51.88 -40.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -57.57 -50.66 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 31.9 mt -38.05 -59.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 142.9 133.19 2.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -44.8 -30.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.595 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.8 p-80 -73.17 -35.65 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.595 HG13 ' CD2' ' A' ' 65' ' ' HIS . 74.7 mt -78.21 -52.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -156.06 132.31 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HB3' ' NE1' ' A' ' 45' ' ' TRP . 22.7 mmm-85 -100.05 129.14 46.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HB1' ' A' ' 56' ' ' ALA . 43.3 t -110.33 139.64 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 45' ' ' TRP . 20.8 pttt -172.53 130.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t -44.28 164.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 20' ' ' LEU . 2.5 t -88.52 -46.92 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -95.82 -65.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.4 mt -38.61 -33.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -101.35 163.07 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' C ' ' CD1' ' A' ' 77' ' ' TRP . 21.9 pt20 -88.41 159.05 18.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.532 ' CE2' ' HE3' ' A' ' 70' ' ' LYS . 32.4 m95 -145.1 149.79 35.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -124.79 157.02 36.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.23 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -47.04 -47.67 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.71 -41.74 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.749 HG22 HE22 ' A' ' 86' ' ' GLN . 31.5 mm -53.89 -59.67 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -43.08 -48.98 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.7 m -50.37 -58.65 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.467 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 90.2 mmm -37.81 -51.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.749 HE22 HG22 ' A' ' 82' ' ' ILE . 1.7 mp0 -69.57 -50.33 45.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -47.63 -60.36 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.5 tpt -78.05 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.18 171.68 4.12 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.05 -37.31 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.1 m -45.43 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -59.34 -44.57 92.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.12 -41.19 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -74.68 -38.61 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.29 -2.75 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -114.3 -68.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.627 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 92.5 m-85 -68.97 -53.55 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 40.5 mt-10 -88.05 37.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.71 -35.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.01 18.72 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 105' ' ' PHE . 49.2 mt -59.19 147.18 75.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.76 51.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.62 -31.1 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 0.7 OUTLIER -111.59 43.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.62 ' CD1' HD22 ' A' ' 101' ' ' LEU . 5.6 t80 -65.24 150.21 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.444 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 23.3 ttm105 -138.0 115.09 10.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 7.8 ttm105 -69.02 118.05 57.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 142.32 47.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -104.16 -35.95 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 114' ' ' VAL . 81.3 p -88.33 146.36 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.85 -40.93 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -40.42 -35.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.42 -52.01 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.456 HG21 ' NH2' ' A' ' 54' ' ' ARG . 90.7 t -44.94 -61.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' VAL . 6.4 tm-20 -38.05 -55.51 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -62.0 -55.06 33.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 38.7 t80 -41.2 -51.44 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.89 -39.84 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 49.9 mtt-85 -62.33 -57.73 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.66 -8.15 53.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 23.2 tttt -85.98 -39.56 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.627 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 78.1 m-85 -110.8 -49.14 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.9 tm-20 -58.6 -56.16 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -80.09 -20.39 45.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 34.8 mmtm 60.52 29.7 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.59 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' A' ' 101' ' ' LEU . 6.3 m-85 -64.33 -21.03 66.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 44.1 t80 -47.31 124.73 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -100.48 103.32 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.423 ' HD3' ' C ' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -80.08 -35.91 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -42.41 -45.24 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.84 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' A' ' 135' ' ' ILE . 48.9 mm -38.21 -51.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 135' ' ' ILE . . . 69.21 29.68 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 134' ' ' ALA . 14.9 mm -31.97 -59.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 m -165.38 176.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -49.23 179.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 89.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.62 2.214 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 32.0 m -40.5 140.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 63.0 p -133.26 138.23 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.532 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -164.12 127.3 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -167.05 125.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.7 62.3 1.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -120.56 156.42 31.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -42.72 -60.29 1.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.77 141.21 9.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -164.16 145.24 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.19 81.31 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -122.27 -47.83 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -74.51 -45.85 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 tp -42.07 -43.4 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -89.58 78.72 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 97.91 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -110.68 136.75 49.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 3.3 m80 -38.82 -65.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' HIS . 1.9 mp0 -33.51 -64.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ILE . 11.3 tp -44.32 -67.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' LEU . 34.1 mt -33.98 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 12.1 mt -42.2 -45.28 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' LEU . 26.9 t -64.99 -42.43 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -54.73 -31.3 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 37.4 mt -73.1 -48.56 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 50' ' ' PHE . 66.7 mt -50.87 -40.59 56.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -48.07 -48.07 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.39 139.53 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.91 -13.11 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -18.17 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -123.8 16.96 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -78.56 -23.61 46.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.92 167.63 17.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 23.2 t -58.69 164.34 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.13 -1.04 52.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.24 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -88.26 -2.56 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' OE1' ' N ' ' A' ' 36' ' ' GLU . 4.9 mp0 49.42 35.17 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.606 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -64.03 160.89 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -91.32 117.4 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.07 56.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 82.67 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' HG21 ' A' ' 72' ' ' VAL . 12.6 tpp180 -62.7 -75.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.476 ' HE1' HD12 ' A' ' 53' ' ' ILE . 72.5 m95 -48.08 167.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 138.34 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.51 111.75 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 24.3 p-90 -75.01 -53.24 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -37.24 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.611 HD11 ' OG ' ' A' ' 67' ' ' SER . 89.5 mt -106.37 -44.2 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.92 49.98 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 m -150.62 141.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD2' HD21 ' A' ' 24' ' ' LEU . 61.2 m-85 -87.67 122.61 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 56' ' ' ALA . 21.3 pt -124.69 157.44 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -73.34 -175.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.476 HD12 ' HE1' ' A' ' 42' ' ' TRP . 5.2 tt -74.22 -41.84 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 94.5 m -50.56 -50.08 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -41.54 -47.91 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.61 -37.6 34.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.2 mp -73.56 -33.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 22.1 m80 -62.64 -37.4 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.15 -48.15 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -53.77 -48.59 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD22 ' HG2' ' A' ' 119' ' ' ARG . 16.0 mt -37.41 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.84 143.94 4.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.19 -15.76 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -89.95 -14.54 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.1 mt -102.95 -51.79 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.611 ' OG ' HD11 ' A' ' 47' ' ' ILE . 31.8 m -158.82 121.15 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.01 140.06 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.527 HG11 ' HB1' ' A' ' 56' ' ' ALA . 48.0 t -117.92 133.69 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.51 141.71 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 67.3 m -60.63 142.8 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG12 HD13 ' A' ' 20' ' ' LEU . 1.5 t -66.82 -34.48 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ASP . 6.7 t30 -117.95 -63.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 22.6 mt -38.19 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 73' ' ' ASN . 4.2 m-20 -111.05 161.23 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.31 147.85 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.585 ' CZ3' HD21 ' A' ' 20' ' ' LEU . 11.0 m95 -125.49 -174.97 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 p -148.68 143.96 26.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.26 -52.19 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.51 -38.09 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.553 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 90.8 mt-30 -78.05 -40.42 38.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.584 HG22 HE22 ' A' ' 86' ' ' GLN . 44.3 mm -55.68 -57.34 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -41.22 -48.11 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' MET . 94.2 m -52.01 -57.73 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 81.3 mmm -36.85 -57.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.584 HE22 HG22 ' A' ' 82' ' ' ILE . 1.4 mp0 -60.28 -51.93 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 tpt -72.07 -73.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.34 168.45 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.38 -42.55 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.4 m -42.03 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' ALA . 43.5 mtpt -60.21 -48.37 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -37.44 -37.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.81 -47.85 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.667 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 16.4 mt -69.11 -7.0 31.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -108.02 -61.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.433 ' OH ' HG23 ' A' ' 47' ' ' ILE . 96.5 m-85 -76.21 -38.81 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.578 ' HG2' ' HZ2' ' A' ' 121' ' ' LYS . 36.7 mt-10 -100.12 37.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -100.63 -27.49 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -97.08 16.4 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 105' ' ' PHE . 43.8 mt -79.89 145.13 61.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 158.02 58.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -103.35 33.64 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.664 ' CD1' HD22 ' A' ' 101' ' ' LEU . 23.8 t80 -57.21 162.78 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.539 ' O ' ' CZ ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -136.05 147.06 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -104.87 118.18 56.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.725 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.09 64.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -119.22 -37.17 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.76 134.2 39.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.2 m-20 -46.67 -59.48 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.2 pt20 -35.3 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -92.94 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' ALA . 77.7 t -36.11 -58.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -38.8 -49.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 119' ' ' ARG . 24.5 m-85 -66.12 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.552 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 31.5 t80 -37.3 -45.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.3 mt -68.63 -36.39 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.511 ' HG2' HD22 ' A' ' 62' ' ' LEU . 7.7 mtp-105 -69.35 -44.8 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 4.9 m-20 -72.78 -13.26 61.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.58 ' NZ ' HD11 ' A' ' 101' ' ' LEU . 18.9 ttmt -105.63 -22.25 13.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -117.95 -47.29 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 2.9 tt0 -65.11 -69.48 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.491 ' CD ' ' HE2' ' A' ' 126' ' ' LYS . 41.8 mttm -74.61 -25.68 59.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 27.7 mmtp 63.87 44.15 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.491 ' HE2' ' CD ' ' A' ' 124' ' ' LYS . 17.8 mtmt -68.26 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -76.67 4.74 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.408 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 91.1 t80 -73.32 121.42 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.459 ' O ' HD11 ' A' ' 96' ' ' LEU . 7.6 t0 -84.61 102.57 13.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 -16.12 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -30.89 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.99 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 135' ' ' ILE . 4.6 mp -38.16 -75.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 40.2 25.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.73 ' H ' HG22 ' A' ' 133' ' ' ILE . 2.8 pp -66.62 172.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' GLY . 84.1 p -121.13 170.39 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' SER . . . -36.04 98.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.499 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 137' ' ' GLY . 54.2 Cg_endo -69.77 165.06 32.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.8 p -65.54 124.48 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.5 t -145.64 132.88 20.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.468 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 m -132.31 122.73 25.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -64.24 172.8 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.2 75.52 0.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -114.48 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -105.98 85.88 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.49 146.63 4.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 144.7 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.53 40.15 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -83.22 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.72 -40.72 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.16 44.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 23.7 p-10 -114.04 102.91 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -119.29 -51.74 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -154.75 138.24 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.485 ' HA ' HD12 ' A' ' 19' ' ' ILE . 10.0 m170 -52.07 -61.15 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 16' ' ' HIS . 36.6 mm-40 -32.16 -55.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' ILE . 4.9 tt -56.73 -64.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 16' ' ' HIS . 80.5 mt -33.13 -64.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' ILE . 28.5 mt -34.24 -57.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 24' ' ' LEU . 11.9 t -62.03 -40.01 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' ILE . 4.1 ttmm -55.75 -44.01 77.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD12 ' HZ ' ' A' ' 50' ' ' PHE . 20.4 mt -58.67 -49.94 75.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD21 ' CD2' ' A' ' 50' ' ' PHE . 40.7 mt -50.67 -44.71 57.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -42.87 -41.76 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -60.43 135.96 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -49.35 -35.49 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.39 -38.41 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -113.84 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.95 -26.84 28.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 1.8 m-85 -130.17 158.42 39.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.8 t -51.41 165.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.72 -6.85 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -117.9 -60.25 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.0 p -99.77 8.94 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 9.0 mm-40 40.01 35.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.709 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.99 139.91 57.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -68.52 126.61 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.73 59.87 3.35 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.2 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.677 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.8 -72.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' NE1' HG12 ' A' ' 53' ' ' ILE . 52.7 m95 -43.3 162.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.54 121.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -83.83 110.99 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD2' ' N ' ' A' ' 46' ' ' ASN . 70.0 p-90 -69.36 -46.56 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 14.5 t-20 -43.73 -47.12 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.07 -48.97 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 38.88 2.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.19 153.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.54 ' CD2' HD21 ' A' ' 24' ' ' LEU . 89.2 m-85 -96.98 120.76 37.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 pt -122.69 168.15 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.35 -174.33 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.503 HG12 ' NE1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.39 -39.2 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' NH2' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -59.87 -67.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 90.2 m -46.89 -50.67 18.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.768 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -42.8 -49.54 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.33 -43.87 34.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -68.07 -44.43 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.078 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -48.27 -50.42 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -47.44 -49.87 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 62' ' ' LEU . 51.8 m-20 -52.02 -52.1 53.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 61' ' ' ASN . 32.0 mt -34.17 -55.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.36 132.49 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 65' ' ' HIS . 31.1 m -43.18 -45.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.566 ' CD2' HG13 ' A' ' 66' ' ' ILE . 16.6 p-80 -58.51 -40.08 81.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 65' ' ' HIS . 12.2 mt -74.34 -54.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t -151.76 130.33 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -113.17 73.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.768 HG11 ' HB1' ' A' ' 56' ' ' ALA . 85.9 t -41.37 131.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -145.39 131.52 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -57.61 152.72 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.677 HG21 ' O ' ' A' ' 41' ' ' ARG . 4.0 t -85.13 -40.79 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 15.6 t-20 -104.85 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -41.23 -36.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 157.43 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -96.53 154.68 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -123.41 -175.07 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -146.15 148.86 33.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -49.57 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.89 -47.66 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.32 -41.55 66.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.575 HG22 HE22 ' A' ' 86' ' ' GLN . 21.6 mm -50.45 -60.3 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.491 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 2.5 tp-100 -42.9 -42.17 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.3 t -57.61 -51.54 69.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 79.6 mmm -44.06 -56.35 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.575 HE22 HG22 ' A' ' 82' ' ' ILE . 1.0 OUTLIER -63.07 -43.97 97.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -51.51 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -74.72 -69.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.23 174.26 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -68.05 -43.84 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.1 m -38.63 -67.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -60.36 -51.46 69.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.37 -44.33 65.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 32.3 mt -70.55 -8.57 52.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -106.88 -64.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.509 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 87.7 m-85 -73.78 -45.46 51.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.597 ' HG2' HD11 ' A' ' 101' ' ' LEU . 23.2 mt-10 -88.6 35.42 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -102.31 -44.15 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 7.0 m120 -83.35 19.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.676 HD22 ' CD1' ' A' ' 105' ' ' PHE . 25.4 mt -76.65 143.26 71.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.83 58.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.84 -42.94 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.4 p30 -99.47 40.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.676 ' CD1' HD22 ' A' ' 101' ' ' LEU . 6.6 t80 -63.36 147.02 52.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -121.75 131.66 54.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' ARG . . . . . 0.523 ' O ' ' NE2' ' A' ' 109' ' ' GLN . 37.5 ttm-85 -91.75 128.65 45.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.911 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.71 145.02 56.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 0.0 112.355 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.523 ' NE2' ' O ' ' A' ' 107' ' ' ARG . 2.5 mp0 -107.17 -41.81 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t -102.99 157.15 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.5 m-20 -50.82 -43.26 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 25.0 tt0 -38.17 -34.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -106.42 -50.84 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.485 HG21 ' NH2' ' A' ' 54' ' ' ARG . 93.2 t -46.8 -64.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 114' ' ' VAL . 30.2 tt0 -35.09 -54.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -64.48 -52.34 58.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.582 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 28.8 t80 -41.6 -49.25 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.22 -35.8 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -70.85 -8.87 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.402 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.9 m-20 -123.64 -17.39 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 74.7 tttt -82.65 -47.15 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.509 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 68.1 m-85 -98.2 -55.17 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -64.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.8 mmtp -70.46 -22.17 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.8 mmtm 62.77 29.83 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -52.24 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.453 ' CD2' HD23 ' A' ' 101' ' ' LEU . 2.2 m-85 -87.17 39.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 67.2 t80 -97.6 118.65 34.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -92.46 105.7 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -81.02 -37.73 28.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 132' ' ' ALA . 13.2 m120 -50.35 -39.04 45.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -32.5 -56.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.689 ' O ' HG22 ' A' ' 133' ' ' ILE . 31.2 mm 32.8 55.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -108.13 114.61 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 135' ' ' ILE . 3.7 mp 43.72 54.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.0 t -111.46 138.85 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -121.5 149.91 17.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.79 19.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 t -84.71 108.02 17.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 62.0 m -152.6 156.64 39.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.459 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -124.78 -54.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -47.52 145.19 2.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.45 -171.87 32.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -78.75 93.53 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -75.97 100.97 5.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.28 137.07 6.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -103.45 138.35 40.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.63 42.96 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.5 mp0 -80.93 -40.99 23.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -35.94 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.7 44.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -82.91 104.67 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -95.78 -58.93 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -127.53 151.54 48.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 19' ' ' ILE . 4.8 m170 -64.44 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 16' ' ' HIS . 17.1 mm100 -30.78 -46.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -66.52 -50.87 61.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 16' ' ' HIS . 57.9 mt -49.95 -54.74 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.589 HD13 HG12 ' A' ' 72' ' ' VAL . 18.4 mt -47.17 -44.37 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -66.27 -42.87 87.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -50.87 -47.67 60.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD21 ' HG3' ' A' ' 86' ' ' GLN . 24.1 mt -54.61 -49.34 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.628 HD21 ' CD2' ' A' ' 50' ' ' PHE . 11.6 mt -63.52 -26.56 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -92.85 -3.11 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -89.43 29.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 42.16 38.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -123.83 -44.96 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -112.08 30.57 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -68.17 -17.27 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 20.3 m-85 -138.17 149.08 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.8 t -41.77 147.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.625 ' HB2' ' ND2' ' A' ' 90' ' ' ASN . . . -80.22 8.06 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -134.96 -65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -92.61 11.1 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' CYS . 45.1 mm-40 35.0 47.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -65.89 160.08 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -89.03 102.83 15.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.19 58.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 81.19 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -73.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -50.51 167.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.28 140.25 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 106.25 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 27.8 p-90 -65.25 -56.16 14.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -33.7 -39.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 122' ' ' TYR . 68.0 mt -94.99 -40.72 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' GLY . . . 97.28 31.46 6.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 93' ' ' ALA . 16.8 m -136.99 146.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 24' ' ' LEU . 26.4 m-85 -87.33 133.4 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.2 169.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.2 p -85.5 179.01 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 tt -70.77 -35.01 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.508 ' NH2' HG21 ' A' ' 114' ' ' VAL . 7.2 tmm_? -59.57 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.548 ' SG ' HD11 ' A' ' 118' ' ' ILE . 95.5 m -53.43 -45.23 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.877 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -44.31 -52.15 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.33 -38.88 34.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 54' ' ' ARG . 4.3 mp -73.11 -38.63 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.17 -49.49 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -48.94 -47.66 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 75.2 m-20 -48.52 -49.77 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 24.2 mt -37.52 -54.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.76 143.73 4.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.11 -13.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -91.56 -28.38 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 62' ' ' LEU . 37.4 mt -89.1 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.476 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 6.9 p -164.27 132.69 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -109.77 127.27 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.877 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.8 t -99.2 140.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.05 143.32 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -53.87 163.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.589 HG12 HD13 ' A' ' 20' ' ' LEU . 3.4 t -89.7 -42.08 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -102.69 -56.43 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 76.5 mt -44.33 -38.3 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.76 163.5 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -96.46 142.42 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 16.6 m95 -126.24 163.81 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 p -125.97 140.52 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -37.73 -46.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -52.17 -50.24 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 8.4 mm-40 -67.62 -38.96 84.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.569 HG22 HE22 ' A' ' 86' ' ' GLN . 30.7 mm -50.77 -55.38 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLN . . . . . 0.533 ' HA ' ' NE2' ' A' ' 86' ' ' GLN . 4.7 tp-100 -38.76 -53.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 85.2 m -47.41 -58.88 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' CYS . 82.4 mmm -36.66 -44.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.591 ' HG3' HD21 ' A' ' 23' ' ' LEU . 2.1 mp0 -78.3 -47.73 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.11 -28.96 28.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.1 tpt -108.03 -75.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 53.94 170.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASN . . . . . 0.625 ' ND2' ' HB2' ' A' ' 33' ' ' ALA . 1.1 m-80 -61.84 -42.22 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.9 m -40.34 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -59.51 -47.71 84.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.595 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -38.64 -48.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HG3' ' CD ' ' A' ' 98' ' ' GLU . 19.5 ttm180 -66.72 -40.14 88.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.25 -1.84 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.591 ' CD2' ' HB3' ' A' ' 132' ' ' ALA . 1.3 tm? -114.9 -69.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -70.37 -48.48 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.605 ' HG2' HD12 ' A' ' 101' ' ' LEU . 4.2 tt0 -83.22 35.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.52 -37.55 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' HB2' ' C ' ' A' ' 127' ' ' TYR . 8.6 m120 -88.57 21.0 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.605 HD12 ' HG2' ' A' ' 98' ' ' GLU . 16.3 mt -74.32 154.74 88.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.89 68.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.238 . . . . 0.0 112.344 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.55 -29.3 58.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.469 ' O ' ' ND2' ' A' ' 104' ' ' ASN . 1.0 OUTLIER -112.8 42.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.924 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.535 ' CD2' HD13 ' A' ' 101' ' ' LEU . 15.1 t80 -63.94 144.5 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -133.25 99.67 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -48.86 123.2 11.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.538 0.685 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.91 34.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -102.28 -38.72 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.5 p -86.32 152.77 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.88 -45.81 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -39.0 -35.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -93.68 -65.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.508 HG21 ' NH2' ' A' ' 54' ' ' ARG . 74.5 t -34.98 -54.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -43.05 -48.26 6.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -75.31 -51.71 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 78.7 t80 -42.55 -45.76 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.548 HD11 ' SG ' ' A' ' 55' ' ' CYS . 88.5 mt -69.95 -38.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 123' ' ' GLU . 34.9 mtp85 -65.47 -59.71 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -11.33 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.455 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -89.78 -43.38 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 47' ' ' ILE . 64.0 m-85 -104.29 -47.22 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' ARG . 8.8 tt0 -62.36 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.69 -21.54 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt 59.18 37.92 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -62.63 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.593 ' CD2' HD23 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -84.32 36.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -99.08 118.21 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.485 ' O ' HD21 ' A' ' 96' ' ' LEU . 13.6 t0 -99.76 105.44 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 5.9 ptpt -81.64 -28.21 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 130' ' ' LYS . 0.6 OUTLIER -55.58 -40.41 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.591 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -36.1 -63.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.715 ' H ' HD12 ' A' ' 133' ' ' ILE . 5.3 mp -49.26 -58.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.43 175.88 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 66.4 mt -85.02 143.06 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.3 p -74.84 143.67 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -93.27 -158.16 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.4 m -61.12 128.47 36.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.5 m -101.79 166.41 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.3 t -113.73 161.54 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 1.6 t -52.85 87.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 37.96 90.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.12 97.0 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.879 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -96.48 93.2 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 49.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.79 119.71 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.52 40.11 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -59.88 -44.99 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -81.23 -54.6 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tp -40.66 -50.15 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.86 127.83 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -119.5 -46.56 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.455 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 0.5 OUTLIER -105.7 138.52 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.805 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.8 m170 -70.67 -56.07 7.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' HIS . 35.5 mm-40 -33.84 -48.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 10.2 tp -64.73 -48.78 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' A' ' 16' ' ' HIS . 78.5 mt -45.57 -47.48 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.734 HD13 HG12 ' A' ' 72' ' ' VAL . 13.4 mt -54.22 -47.01 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -59.79 -44.12 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 1.5 mptm? -49.02 -47.84 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 ' OE1' ' A' ' 86' ' ' GLN . 35.6 mt -55.7 -55.8 28.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 50' ' ' PHE . 96.7 mt -47.87 -46.18 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 4.8 mmm180 -41.67 -47.22 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.77 144.39 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 50.9 mm-40 -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.71 -16.59 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -125.45 15.22 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -72.42 -23.85 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 3.8 m-85 -136.47 161.41 35.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 t -46.07 162.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.56 5.83 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.27 -49.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.9 p -108.97 11.73 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 18.1 pt-20 36.58 39.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.66 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -62.06 156.41 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -88.4 108.37 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.29 60.32 0.96 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.81 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 13.1 tpp180 -58.63 -75.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.431 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 78.8 m95 -48.04 170.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.2 119.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -78.85 113.04 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 46.4 p-90 -74.96 -52.09 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -43.03 -36.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.521 HD13 ' CE1' ' A' ' 122' ' ' TYR . 97.9 mt -90.25 -46.49 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 41.43 2.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 m -150.35 157.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.696 ' CD2' HD21 ' A' ' 24' ' ' LEU . 90.1 m-85 -95.9 124.8 40.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 pt -128.84 155.71 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -73.04 -174.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.27 -32.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -64.98 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.7 m -45.13 -46.41 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.772 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -49.76 -53.51 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.83 -25.68 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.487 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.4 mp -90.01 -35.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.096 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -62.36 -34.29 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.62 -47.36 81.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.33 -48.3 74.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 66' ' ' ILE . 38.5 mt -33.35 -51.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 139.12 127.74 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -41.6 -39.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 26.6 p-80 -70.05 -34.1 72.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.839 HD13 ' HG3' ' A' ' 123' ' ' GLU . 74.2 mt -76.54 -54.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 46' ' ' ASN . 5.2 m -156.11 135.58 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -110.61 138.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.772 HG11 ' HB1' ' A' ' 56' ' ' ALA . 59.1 t -113.11 136.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -162.93 131.22 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.5 m -46.62 166.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.734 HG12 HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -92.96 -36.67 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -110.01 -50.37 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 50.3 mt -50.52 -26.65 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -115.43 167.69 10.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.2 151.27 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 14.0 m95 -125.86 177.39 6.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 65.1 p -136.5 139.34 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.07 -44.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.48 -61.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 52.7 mt-30 -65.62 -41.96 92.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.1 mm -47.91 -59.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -47.02 -28.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.64 -45.09 76.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 93.6 mmm -52.59 -47.29 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.762 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.4 mp0 -70.03 -46.81 64.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -61.32 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -73.68 -72.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 164.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -60.14 -37.33 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.7 m -42.97 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -57.63 -47.37 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.26 -41.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -72.5 -42.99 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.82 -7.99 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 132' ' ' ALA . 0.8 OUTLIER -110.16 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 85.3 m-85 -70.32 -49.56 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -85.03 34.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.15 -34.31 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 9.1 m120 -95.51 20.49 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.499 HD13 ' CD2' ' A' ' 105' ' ' PHE . 20.8 mt -78.32 154.82 79.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.73 43.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.628 2.218 . . . . 0.0 112.353 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -50.01 -33.04 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.68 28.09 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.499 ' CD2' HD13 ' A' ' 101' ' ' LEU . 38.7 t80 -58.49 157.34 9.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -161.87 111.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -39.58 128.27 1.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.407 ' O ' HG22 ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -75.04 -22.39 58.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 114' ' ' VAL . 41.3 p -83.94 125.79 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -47.93 63.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -50.68 -39.3 50.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -47.78 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 110' ' ' THR . 58.0 t -46.6 -62.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -41.95 -57.62 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' ARG . 15.8 m-85 -55.08 -56.46 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.585 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 36.0 t80 -34.18 -60.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.575 HG23 ' HD2' ' A' ' 122' ' ' TYR . 32.3 mt -60.72 -35.14 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' PHE . 26.0 mmm-85 -60.89 -21.22 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.1 m-20 -118.93 -7.03 10.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.585 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 13.4 ttpt -89.04 -31.92 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 50.5 m-85 -113.84 -52.29 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.839 ' HG3' HD13 ' A' ' 66' ' ' ILE . 6.7 tt0 -61.35 -63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 17.7 mmmt -71.45 -19.44 62.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 31.0 mmtp 56.14 29.6 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -51.54 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -82.81 37.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 47.9 t80 -99.09 121.85 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -97.78 99.93 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -71.61 -41.11 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 5.9 t-20 -38.7 -45.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.615 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -45.53 -58.36 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.2 mt -41.33 -40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 134' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 131' ' ' ASN . . . -48.69 105.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.633 HD12 ' HD3' ' A' ' 138' ' ' PRO . 11.1 pt -91.53 176.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.4 m -115.08 -56.83 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.423 ' HA2' ' HD2' ' A' ' 138' ' ' PRO . . . -166.95 103.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 138' ' ' PRO . . . . . 0.633 ' HD3' HD12 ' A' ' 135' ' ' ILE . 53.7 Cg_endo -69.75 125.55 12.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.3 p -83.28 95.94 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.1 t -87.34 146.17 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.523 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -115.89 42.39 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -79.63 120.04 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.36 49.46 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -152.75 112.59 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.385 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 p -167.44 164.01 14.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 105.84 -142.77 15.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.3 ptpp? 37.88 26.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -91.19 42.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -83.65 -49.8 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.54 -40.59 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.77 45.11 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -92.02 127.19 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -119.23 -47.61 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -147.25 139.42 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' CG ' HG13 ' A' ' 82' ' ' ILE . 3.8 m-70 -53.36 -61.34 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' HIS . 6.8 mp0 -34.23 -51.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -51.05 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 82.1 mt -50.69 -63.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 72' ' ' VAL . 34.8 mt -43.21 -38.71 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.6 m -72.49 -43.13 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -56.91 -37.04 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.84 -52.55 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.7 mt -52.22 -49.78 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -43.52 -37.81 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.67 136.44 57.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -51.65 -36.08 44.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.18 -24.81 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -121.91 32.87 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 37.9 mmtt -85.23 -29.45 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -130.12 172.24 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.2 t -61.04 167.02 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.88 -8.77 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -116.45 -53.17 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.9 p -107.22 9.7 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mt-10 35.99 43.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -63.96 163.41 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -89.18 112.98 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 62.78 1.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 80.18 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -58.85 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.666 ' NE1' HD13 ' A' ' 53' ' ' ILE . 55.5 m95 -44.57 167.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -162.52 135.47 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.11 95.73 9.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 22.0 p-90 -59.76 -50.41 73.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 11.9 t-20 -35.98 -48.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.81 -48.76 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.84 36.54 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.7 m -139.72 152.89 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 96.2 m-85 -92.7 124.77 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 pt -128.96 161.98 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -79.57 174.87 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.666 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.9 tp -66.03 -41.43 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 58' ' ' ILE . 7.8 tmm_? -54.64 -56.76 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.513 ' HA ' HD13 ' A' ' 58' ' ' ILE . 88.4 m -61.11 -44.15 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.697 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.05 -49.86 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.88 -39.51 32.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 54' ' ' ARG . 5.2 mp -71.52 -43.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -49.22 -51.24 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -45.56 -50.46 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 58' ' ' ILE . 4.0 m-20 -51.51 -50.65 59.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 66' ' ' ILE . 30.8 mt -35.07 -52.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.92 134.12 3.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -47.23 -30.87 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.8 p-80 -72.3 -31.4 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 62' ' ' LEU . 27.5 mt -85.11 -53.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 p -152.19 140.33 20.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.53 115.18 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.697 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.2 t -89.94 138.89 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 10.4 ptmm? -166.41 134.57 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 42.3 m -48.75 149.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 20' ' ' LEU . 16.5 t -74.18 -57.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.66 -60.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 62.6 mt -39.13 -43.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.1 156.08 19.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.43 142.1 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.4 m95 -127.74 157.69 39.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ALA . 70.5 p -123.37 144.64 49.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -35.37 -43.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -49.33 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' ' CD2' ' A' ' 45' ' ' TRP . 60.9 mt-30 -61.05 -47.69 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 16' ' ' HIS . 33.2 mm -43.35 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -47.76 -42.16 24.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 85' ' ' MET . 21.6 t -52.03 -59.71 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 84' ' ' CYS . 86.0 mmm -34.53 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 3.2 mp0 -65.64 -50.63 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.82 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 tpt -81.99 -70.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.19 171.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.97 -42.98 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.7 m -38.86 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -63.92 -45.32 89.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.465 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -42.13 -40.33 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.833 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 22.6 mt -64.09 -18.02 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.62 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 83.8 m-85 -69.94 -51.61 31.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.473 ' CD ' ' HZ1' ' A' ' 121' ' ' LYS . 5.1 mm-40 -84.62 35.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.833 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -100.12 -47.11 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -86.45 21.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 105' ' ' PHE . 16.0 mt -58.21 146.37 70.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' CE2' ' A' ' 127' ' ' TYR . 53.4 Cg_endo -69.78 138.71 38.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -45.86 -36.5 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -102.26 38.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 101' ' ' LEU . 29.4 t80 -64.18 143.8 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -152.93 106.26 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -41.16 119.69 1.81 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 127.4 14.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -90.42 -40.35 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 114' ' ' VAL . 24.4 p -68.53 140.0 55.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' ALA . 2.9 m-20 -59.95 -63.53 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' NE2' ' HB ' ' A' ' 110' ' ' THR . 7.3 pm0 -37.24 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -85.57 -50.47 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.623 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 99.2 t -48.53 -57.01 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLU . . . . . 0.524 ' CG ' HG12 ' A' ' 58' ' ' ILE . 10.7 mt-10 -40.39 -49.08 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' PHE . 23.4 m-85 -68.45 -62.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.572 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 9.1 t80 -33.82 -47.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.62 -45.45 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' ARG . . . . . 0.601 ' HG3' HD21 ' A' ' 62' ' ' LEU . 41.0 mtt180 -58.38 -58.16 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.33 -19.01 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 117' ' ' PHE . 7.5 ttmt -80.92 -46.28 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.62 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 95.8 m-85 -100.67 -52.69 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 5.7 tt0 -54.28 -64.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -76.81 -19.99 56.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 62.93 34.23 14.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.85 -64.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CE2' ' HD3' ' A' ' 102' ' ' PRO . 3.1 m-85 -84.61 37.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -99.98 120.7 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -93.97 103.73 15.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 131' ' ' ASN . 51.5 pttt -77.49 -39.94 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 132' ' ' ALA . 82.6 m-20 -38.35 -46.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -35.95 -45.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.705 ' O ' HG22 ' A' ' 133' ' ' ILE . 49.5 mm 33.33 54.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.68 178.08 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 136' ' ' SER . 0.1 OUTLIER -103.45 119.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 136' ' ' SER . . . . . 0.622 ' N ' HD12 ' A' ' 135' ' ' ILE . 1.6 t -104.23 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 139' ' ' SER . . . 116.97 -97.96 0.77 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 10.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 137' ' ' GLY . 3.4 m -107.94 163.19 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t -105.4 44.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -68.74 118.33 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 p -105.29 173.01 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.98 131.49 10.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -80.93 149.57 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -54.82 169.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.55 90.73 0.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -124.74 175.91 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.66 41.48 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -90.25 -46.47 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -74.39 -49.64 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -37.77 -44.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -79.83 120.81 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -103.67 89.91 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.497 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 14.1 pt20 -156.44 137.7 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.488 ' HA ' HD12 ' A' ' 19' ' ' ILE . 15.9 m-70 -47.72 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HA ' HD12 ' A' ' 20' ' ' LEU . 17.1 mp0 -30.63 -47.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -59.33 -51.19 70.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 16' ' ' HIS . 19.0 mt -57.78 -50.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 17' ' ' GLN . 45.2 mt -46.31 -39.59 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -66.66 -47.65 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -36.88 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD11 HE21 ' A' ' 86' ' ' GLN . 43.5 mt -64.59 -50.08 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.95 -46.0 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -42.95 -39.36 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.2 135.72 55.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 10.2 tt0 -53.39 -31.34 44.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.96 -28.88 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -121.37 27.09 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 23.4 mmtt -80.32 -28.33 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 30' ' ' LYS . 1.8 m-85 -133.28 169.48 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 20.2 t -54.15 166.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.25 -6.28 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.52 7.3 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 3.9 pt-20 38.77 46.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 161.65 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -89.23 103.07 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.23 68.4 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 82.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -61.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TRP . . . . . 0.609 ' NE1' HD13 ' A' ' 53' ' ' ILE . 54.6 m95 -67.72 166.86 14.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -163.9 141.07 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -101.24 102.66 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 52.9 p-90 -64.51 -53.75 43.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.503 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 23.0 t-20 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ILE . . . . . 0.597 HD13 ' CE2' ' A' ' 122' ' ' TYR . 67.2 mt -88.06 -39.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 47.97 2.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . 0.49 HG11 ' CB ' ' A' ' 93' ' ' ALA . 24.1 m -155.96 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HZ ' HD12 ' A' ' 23' ' ' LEU . 88.8 m-85 -97.25 126.3 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.78 170.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.83 172.0 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.609 HD13 ' NE1' ' A' ' 42' ' ' TRP . 3.0 tp -63.98 -34.65 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -60.41 -63.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.4 m -55.6 -36.93 67.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . 0.731 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -50.99 -50.67 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.02 -41.34 14.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -69.38 -42.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 111.129 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' A' ' 69' ' ' VAL . 19.4 m-70 -52.33 -52.26 54.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtm105 -47.49 -46.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 17.7 m120 -56.82 -50.59 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 41.4 mt -34.94 -57.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.48 134.0 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.2 -34.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.56 ' CD2' HG13 ' A' ' 66' ' ' ILE . 27.1 p-80 -68.75 -39.19 80.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 65' ' ' HIS . 18.0 mt -74.81 -41.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.3 t -169.17 140.01 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -112.89 104.11 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.731 HG11 ' HB1' ' A' ' 56' ' ' ALA . 60.9 t -75.78 140.04 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.73 148.2 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.49 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 26.8 m -59.57 159.19 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 43' ' ' ALA . 38.8 t -87.17 -43.62 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -96.74 -57.72 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 98.4 mt -42.91 -62.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.84 160.35 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -96.09 140.88 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' TRP . . . . . 0.562 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 12.3 m95 -122.41 154.89 37.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.0 p -120.03 161.44 20.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.17 -43.2 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.67 -50.36 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.5 mp0 -68.41 -50.01 55.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.7 mm -52.0 -51.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -50.65 -46.32 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.05 -52.15 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.8 mmm -43.98 -47.39 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLN . . . . . 0.591 HE21 HD11 ' A' ' 23' ' ' LEU . 13.9 mp0 -71.27 -50.45 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.23 -59.11 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.5 tpt -81.24 -72.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.2 174.79 3.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.45 -43.46 77.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -40.42 -66.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 95' ' ' LEU . 36.3 mttm -62.37 -49.25 76.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -37.32 -40.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -73.52 -40.65 63.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 41.1 mt -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.467 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.28 -62.8 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 79.0 m-85 -68.69 -51.64 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.895 ' HB3' HD12 ' A' ' 101' ' ' LEU . 22.7 mt-10 -91.08 38.66 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 129' ' ' ASP . . . -89.54 -40.21 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.96 19.51 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.895 HD12 ' HB3' ' A' ' 98' ' ' GLU . 19.7 mt -88.83 150.73 46.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 141.81 46.23 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -46.78 -42.46 17.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -99.83 42.5 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' PHE . . . . . 0.491 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.8 t80 -62.72 150.82 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -132.53 108.34 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -66.53 139.71 96.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.62 33.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -96.16 -38.09 10.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' ASP . 80.5 p -76.33 121.67 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.9 OUTLIER -34.26 -53.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.8 mt-30 -35.51 -67.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.57 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 93.6 t -43.38 -53.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -49.15 -52.6 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -62.03 -45.45 93.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' PHE . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 23.5 t80 -46.53 -56.35 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 122' ' ' TYR . 19.4 mt -69.36 -36.01 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -71.53 -8.95 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' ASP . . . . . 0.409 ' HB3' ' HD3' ' A' ' 126' ' ' LYS . 11.9 m-20 -119.91 -16.54 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' LYS . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 17.6 ttpp -92.93 -39.19 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' TYR . . . . . 0.597 ' CE2' HD13 ' A' ' 47' ' ' ILE . 70.3 m-85 -98.89 -56.03 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 123' ' ' GLU . . . . . 0.481 ' HG2' HD13 ' A' ' 66' ' ' ILE . 2.8 tm-20 -59.58 -68.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -64.54 -27.69 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 125' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.1 mmtp 63.85 35.43 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 120' ' ' ASP . 1.8 mtpm? -60.03 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 127' ' ' TYR . . . . . 0.568 ' CD2' HD23 ' A' ' 101' ' ' LEU . 9.6 m-85 -70.66 -17.21 62.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' TYR . . . . . 0.525 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 67.0 t80 -51.78 121.09 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 129' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 16.4 t70 -79.82 108.1 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 130' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 131' ' ' ASN . 2.7 pptp? -84.73 -37.53 20.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 131' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 130' ' ' LYS . 1.3 m120 -37.11 -39.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -42.86 -47.61 5.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 133' ' ' ILE . . . . . 0.72 ' O ' HG22 ' A' ' 133' ' ' ILE . 40.2 mm 34.01 54.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.06 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 7.2 mt 67.61 53.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.5 p -74.13 113.2 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.97 129.39 9.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.8 t -97.96 158.92 15.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.0 m -117.21 -51.92 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' ILE . 24.7 m170 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.775 0.321 . . . . 0.0 110.894 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.0 mm-40 -31.7 -42.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 16' ' ' HIS . 0.4 OUTLIER -71.72 -54.92 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' HIS . 57.2 mt -41.59 -49.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.416 HD13 HG12 ' A' ' 72' ' ' VAL . 20.3 mt -48.87 -43.21 38.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 t -65.7 -46.07 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -49.58 -38.02 29.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.836 HD11 HE21 ' A' ' 86' ' ' GLN . 27.0 mt -66.95 -58.9 4.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 50' ' ' PHE . 71.2 mt -47.29 -40.92 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -51.36 -42.74 61.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.76 138.59 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.09 -27.7 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.3 -32.12 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -117.53 31.9 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 24.0 mttp -90.15 -15.07 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 30' ' ' LYS . 2.8 m-85 -138.77 154.79 48.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.8 t -46.03 159.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.71 43.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.97 -68.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 20.9 p -86.85 -0.56 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HB2' ' CD ' ' A' ' 107' ' ' ARG . 2.5 tp10 47.87 42.44 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -63.04 -179.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 39.7 mtmt -110.55 102.48 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.88 59.46 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.673 ' O ' HG21 ' A' ' 72' ' ' VAL . 11.8 tpp85 -62.71 -75.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.439 ' HE1' HD12 ' A' ' 53' ' ' ILE . 64.4 m95 -47.35 163.0 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -157.59 136.4 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.05 104.78 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 45.6 p-90 -69.19 -48.54 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.451 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 2.6 t30 -38.99 -37.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.45 -43.36 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.9 44.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -148.37 153.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.1 m-85 -95.55 126.07 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.35 159.63 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -75.77 -175.81 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 54' ' ' ARG . 6.0 tt -72.98 -48.0 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.561 ' N ' HG23 ' A' ' 53' ' ' ILE . 6.7 tmm_? -51.53 -58.09 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.776 ' HA ' HD12 ' A' ' 58' ' ' ILE . 91.5 m -58.34 -48.24 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.2 -46.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.36 79.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 55' ' ' CYS . 10.2 mt -61.44 -47.03 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -49.24 -49.08 44.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' HB ' ' A' ' 69' ' ' VAL . 27.4 mtp85 -51.07 -43.44 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -55.24 -46.64 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 mt -42.82 -51.75 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.08 148.9 6.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.99 -8.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -94.51 -26.47 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.464 HD13 ' HG3' ' A' ' 123' ' ' GLU . 15.7 mt -92.39 -48.58 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -156.02 128.9 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -102.16 120.27 40.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.423 ' HB ' ' NH1' ' A' ' 60' ' ' ARG . 60.2 t -96.13 134.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -158.12 152.89 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.5 m -65.42 145.87 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.673 HG21 ' O ' ' A' ' 41' ' ' ARG . 2.7 t -69.27 -41.11 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ASP . 35.0 t30 -116.15 -55.4 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.635 HD12 ' H ' ' A' ' 74' ' ' LEU . 4.0 mp -43.73 -22.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' ASN . 28.7 t0 -112.81 165.39 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -92.62 152.06 19.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.427 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 15.6 m95 -132.45 173.88 10.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 p -139.41 148.72 43.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.54 -48.27 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -49.01 -47.37 44.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.571 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 29.3 mt-30 -74.11 -37.05 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.502 HG13 ' CG ' ' A' ' 16' ' ' HIS . 22.9 mm -55.95 -61.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.7 -38.33 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.14 -50.7 72.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -43.73 -45.3 7.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.836 HE21 HD11 ' A' ' 23' ' ' LEU . 24.5 mp0 -77.92 -52.51 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -44.16 -46.13 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -96.81 -71.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 179.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -68.65 -37.2 79.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.3 m -43.26 -71.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.2 -45.52 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.4 -41.63 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -71.83 -45.12 62.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.21 -5.62 28.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.437 HD22 ' HA ' ' A' ' 96' ' ' LEU . 1.1 tm? -111.16 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.728 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 86.9 m-85 -68.96 -48.6 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG2' HD11 ' A' ' 101' ' ' LEU . 51.4 mt-10 -84.53 33.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.97 -35.81 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -95.68 21.52 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.448 HD11 ' HG2' ' A' ' 98' ' ' GLU . 25.0 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.499 ' CD ' ' HB2' ' A' ' 36' ' ' GLU . 42.6 mtt-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.46 42.67 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -98.83 -38.38 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 114' ' ' VAL . 49.4 p -83.66 137.68 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 112' ' ' GLN . 5.0 p-10 -55.97 -52.19 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' ASP . 3.5 pt20 -34.73 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -91.9 -53.98 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 110' ' ' THR . 60.1 t -39.87 -58.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.437 ' CG ' HG12 ' A' ' 58' ' ' ILE . 6.9 mt-10 -40.16 -53.57 2.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 117' ' ' PHE . 17.2 m-85 -66.8 -59.66 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.4 t80 -36.36 -58.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 58' ' ' ILE . 97.9 mt -58.05 -44.8 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 123' ' ' GLU . 27.0 mtp85 -58.94 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 31.4 m-20 -61.52 -20.59 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 49.0 tttp -78.1 -44.34 26.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.728 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 71.7 m-85 -104.71 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 119' ' ' ARG . 14.5 tt0 -50.35 -55.84 13.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 14.0 mmtp -82.39 -16.62 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 33.5 mmtm 59.45 29.61 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -49.72 -68.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.403 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -84.74 38.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 58.8 t80 -99.39 120.39 39.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.6 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.786 ' HA ' HD12 ' A' ' 19' ' ' ILE . 20.9 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.753 0.311 . . . . 0.0 110.814 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -48.22 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.27 -51.31 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 16' ' ' HIS . 64.0 mt -44.78 -64.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 72' ' ' VAL . 31.0 mt -39.61 -45.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -66.86 -38.19 85.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 11.7 mttm -65.33 -40.47 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 HE21 ' A' ' 86' ' ' GLN . 21.5 mt -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 50' ' ' PHE . 69.8 mt -59.01 -52.8 64.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -40.08 -35.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.05 126.69 28.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -44.32 -24.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -66.54 -41.17 89.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 31.8 m-20 -113.79 30.4 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -83.82 -26.24 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -129.34 166.98 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 16.1 t -58.15 158.46 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.73 8.42 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -134.12 -59.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 20.6 p -99.1 6.06 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mm-40 42.3 35.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.584 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -53.87 168.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -96.89 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.42 67.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.421 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.66 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.538 ' HE1' HD12 ' A' ' 53' ' ' ILE . 71.5 m95 -55.07 173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB2' ' HD1' ' A' ' 50' ' ' PHE . . . -167.7 138.27 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -96.51 107.9 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.574 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 51.6 p-90 -72.28 -45.82 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.9 t30 -46.64 -40.26 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -89.05 -49.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 38.82 2.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 31.5 m -143.04 162.44 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.496 ' HD1' ' HB2' ' A' ' 43' ' ' ALA . 84.9 m-85 -103.48 118.34 36.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 pt -122.06 161.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.7 p -77.56 178.26 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.538 HD12 ' HE1' ' A' ' 42' ' ' TRP . 16.5 tt -69.41 -35.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.1 tmm_? -59.76 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 76.9 m -55.78 -48.55 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.76 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -43.57 -50.24 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.2 -42.02 16.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.0 mp -71.59 -37.62 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.075 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.51 -50.21 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -48.79 -43.7 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.7 m-80 -56.39 -51.86 66.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.4 mt -35.34 -57.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 136.61 3.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 65' ' ' HIS . 28.2 m -47.1 -41.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 48.0 p-80 -62.77 -30.85 71.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.525 HG13 ' CD2' ' A' ' 65' ' ' HIS . 16.6 mt -86.25 -62.76 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.4 m -151.75 128.84 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -99.6 153.99 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HB1' ' A' ' 56' ' ' ALA . 63.2 t -127.11 131.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.46 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 13.4 ptmm? -156.56 138.8 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 52.0 m -53.65 145.13 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.492 HG12 HD13 ' A' ' 20' ' ' LEU . 4.2 t -71.44 -58.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -63.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 27.4 mt -37.65 -54.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.7 158.74 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -93.62 141.08 28.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.5 m95 -123.84 163.65 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.1 p -133.78 169.12 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 -41.48 23.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -52.7 -52.22 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 7.3 mp0 -71.62 -49.32 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.42 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 42.9 mm -50.23 -58.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -46.69 -46.73 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.06 -47.82 81.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.7 mmm -47.83 -52.95 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.423 HE21 HD11 ' A' ' 23' ' ' LEU . 2.8 mp0 -67.71 -48.51 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.9 -63.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.27 -73.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.57 172.79 1.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.67 -44.59 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.489 ' N ' HH21 ' A' ' 94' ' ' ARG . 25.3 m -38.53 -68.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -59.58 -49.82 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.42 -38.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.489 HH21 ' N ' ' A' ' 91' ' ' THR . 59.4 mtm180 -74.56 -45.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.24 -8.32 23.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 1.2 tm? -108.36 -68.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.656 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 96.4 m-85 -69.77 -49.23 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.7 34.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.86 -30.6 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -99.86 22.14 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 55.6 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 179.997 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.7 33.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.24 -38.49 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 114' ' ' VAL . 35.7 p -82.19 144.68 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -45.54 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -39.41 -40.38 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.1 -55.07 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 110' ' ' THR . 94.5 t -39.85 -65.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -34.41 -53.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.488 ' N ' ' OE1' ' A' ' 115' ' ' GLU . 9.1 m-85 -62.62 -55.36 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 39.8 t80 -40.31 -48.96 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.04 -34.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -71.3 -10.61 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.89 -19.21 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.524 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 28.0 tttt -83.93 -29.13 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.656 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 34.6 m-85 -114.07 -59.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.76 -59.01 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -75.53 -18.12 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.58 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 38.0 mmtm 59.07 29.03 18.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -48.05 -67.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.39 38.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 41.0 t80 -94.77 123.45 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.9 t0 . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.948 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.768 ' HA ' HD12 ' A' ' 19' ' ' ILE . 2.9 m-70 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.794 0.33 . . . . 0.0 110.823 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' HIS . 4.8 mm-40 -33.38 -51.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.7 -54.75 41.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 16' ' ' HIS . 55.3 mt -43.33 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.983 HD13 HG12 ' A' ' 72' ' ' VAL . 10.5 mt -46.23 -47.33 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -62.1 -40.24 95.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.48 -35.48 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HG3' ' A' ' 86' ' ' GLN . 20.3 mt -68.21 -46.2 71.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 50' ' ' PHE . 61.1 mt -55.37 -40.32 71.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -49.38 -33.29 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.81 130.91 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -48.4 -25.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 1.3 m-20 -115.04 26.38 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -86.33 -26.55 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -130.46 154.6 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.3 t -41.88 161.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.34 6.08 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.47 -54.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.1 p -102.96 8.05 39.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 107' ' ' ARG . 14.5 mm-40 42.08 33.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.668 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -54.38 165.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -97.18 108.9 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.13 59.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 81.57 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.373 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -58.36 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.58 ' NE1' HD13 ' A' ' 53' ' ' ILE . 60.2 m95 -46.83 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.507 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -165.91 125.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.71 104.59 14.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.586 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 41.9 p-90 -66.3 -53.43 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.49 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 16.8 t30 -33.89 -41.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -95.46 -40.81 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 43.51 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.443 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 27.2 m -142.65 146.73 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -89.97 118.29 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.8 pt -125.14 154.16 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -71.71 -179.96 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.58 HD13 ' NE1' ' A' ' 42' ' ' TRP . 6.7 tp -68.65 -48.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.534 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.5 tmm_? -50.28 -60.19 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 m -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.961 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.06 -53.82 15.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.43 -37.99 3.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.49 HG21 ' HA ' ' A' ' 115' ' ' GLU . 3.9 mp -77.36 -37.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.472 ' CD2' HG21 ' A' ' 118' ' ' ILE . 4.3 m-70 -58.08 -45.11 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -50.54 -48.14 57.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' LEU . 87.5 m-20 -49.1 -49.86 39.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 66' ' ' ILE . 23.2 mt -34.38 -53.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 142.73 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.32 -31.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.58 ' CD2' HG13 ' A' ' 66' ' ' ILE . 39.4 p-80 -67.79 -30.66 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 62' ' ' LEU . 26.1 mt -87.27 -53.98 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.474 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 18.8 t -157.0 152.33 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.6 mtt85 -119.52 125.63 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.961 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.6 t -99.75 137.16 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.57 155.78 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -65.67 175.58 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.983 HG12 HD13 ' A' ' 20' ' ' LEU . 2.1 t -104.34 -39.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.04 -52.17 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.0 mt -50.28 -46.44 55.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.15 150.86 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -90.96 142.62 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.8 m95 -118.6 177.78 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.4 p -137.04 149.9 47.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.5 -46.98 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -45.56 -60.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.542 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 74.5 mt-30 -67.44 -44.26 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 39.8 mm -49.25 -64.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -39.15 -42.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.3 m -64.26 -51.89 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mmm -40.35 -54.52 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 8.4 mp0 -63.92 -53.43 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' ' HE3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -51.27 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 tpt -63.08 -73.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 54.08 -174.47 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.422 ' OD1' ' CG ' ' A' ' 29' ' ' ASN . 5.5 m120 -69.16 -32.89 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.4 m -49.65 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 87' ' ' ASP . 21.4 mtmt -59.29 -41.31 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.443 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -49.61 -38.87 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -75.71 -42.75 50.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.58 -4.17 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.414 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.7 OUTLIER -114.27 -61.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CE1' ' CE2' ' A' ' 122' ' ' TYR . 90.4 m-85 -76.45 -49.4 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.85 35.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.45 -40.08 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -87.29 13.59 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.2 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.949 179.911 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 12.0 mtt85 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -72.01 -23.33 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.5 p -87.18 130.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -53.5 48.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.01 -48.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.14 -49.2 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 110' ' ' THR . 86.9 t -43.25 -59.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.49 ' HA ' HG21 ' A' ' 58' ' ' ILE . 20.3 tt0 -42.46 -54.7 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 119' ' ' ARG . 8.6 m-85 -62.0 -59.25 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 32.0 t80 -35.97 -57.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 59' ' ' HIS . 80.3 mt -58.5 -39.5 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.452 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 19.1 mtp180 -63.89 -57.34 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.0 -19.52 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 75.4 tttt -80.72 -43.54 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.428 ' CE2' ' CE1' ' A' ' 97' ' ' TYR . 58.8 m-85 -103.95 -61.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.522 ' HG3' HD13 ' A' ' 66' ' ' ILE . 9.1 tt0 -46.44 -60.72 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.62 -20.3 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.0 mmtp 62.43 26.12 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -47.08 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.23 38.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.535 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 66.5 t80 -99.91 118.52 36.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.7 t70 . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.93 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 m170 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.787 0.327 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.534 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.7 mm-40 -60.68 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.28 -56.58 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.3 mt -47.58 -53.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 17' ' ' GLN . 33.7 mt -44.26 -44.3 7.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -65.24 -39.02 92.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.8 HD11 HE21 ' A' ' 86' ' ' GLN . 30.3 mt -65.63 -45.29 83.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.709 HD21 ' CD2' ' A' ' 50' ' ' PHE . 32.9 mt -59.74 -47.59 85.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 7.5 mtp-105 -44.28 -39.84 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.82 137.27 56.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 37.4 tt0 -53.11 -32.92 49.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -25.23 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -123.38 28.17 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.17 -24.7 32.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -132.07 158.61 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.4 t -46.64 162.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.69 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -134.3 -55.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -100.57 3.63 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 78.3 mm-40 43.75 37.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.583 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.41 177.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -105.13 97.33 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.16 64.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.84 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.745 2.297 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' HG21 ' A' ' 72' ' ' VAL . 11.2 tpp180 -65.35 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.513 ' NE1' HD13 ' A' ' 53' ' ' ILE . 62.3 m95 -50.73 171.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.86 122.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.62 105.14 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 48.9 p-90 -66.72 -47.69 71.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -39.83 -45.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.536 HD13 ' CE2' ' A' ' 122' ' ' TYR . 21.9 mt -89.68 -49.4 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.83 44.44 1.21 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -146.96 151.46 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CD2' HD21 ' A' ' 24' ' ' LEU . 91.8 m-85 -88.81 128.04 35.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.54 154.6 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.49 -176.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.513 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.3 tp -75.62 -36.11 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 54' ' ' ARG . 7.6 tmm_? -59.08 -48.28 82.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.836 ' HA ' HD12 ' A' ' 58' ' ' ILE . 96.4 m -69.98 -43.02 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -42.44 -48.77 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.42 -41.8 63.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 55' ' ' CYS . 11.3 mt -63.09 -42.18 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.138 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.439 ' HB2' HG21 ' A' ' 69' ' ' VAL . 15.2 m-70 -56.04 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -49.74 -47.59 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' LEU . 57.4 m-20 -53.99 -52.23 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 66' ' ' ILE . 20.4 mt -33.98 -52.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.35 147.33 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.25 -28.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.069 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.481 ' CD2' HG13 ' A' ' 66' ' ' ILE . 19.8 p-80 -73.82 -29.23 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 62' ' ' LEU . 27.0 mt -86.93 -58.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -152.67 163.62 39.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HG3' ' CZ2' ' A' ' 45' ' ' TRP . 8.2 mmm180 -119.48 168.28 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 59' ' ' HIS . 60.5 t -147.05 130.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -163.79 158.25 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 3.6 m -61.15 175.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 41' ' ' ARG . 14.6 t -109.85 -38.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.08 -37.73 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 91.1 mt -60.69 -52.05 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.38 164.4 15.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -91.87 148.89 21.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -123.63 166.96 14.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.4 p -127.01 157.57 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.16 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.11 -50.28 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.474 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 46.9 mt-30 -68.05 -44.33 76.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.9 mm -54.95 -57.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -47.33 -39.28 14.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -62.92 -42.91 99.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.0 mmm -52.64 -50.3 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.8 HE21 HD11 ' A' ' 23' ' ' LEU . 24.5 mp0 -70.67 -46.77 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.75 -62.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.6 tpt -74.52 -74.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.19 173.52 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -70.21 -41.78 73.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -41.41 -69.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -60.23 -43.76 95.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -74.22 -43.65 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.96 -3.13 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -113.04 -63.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.5 -47.36 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.714 ' HG2' HD11 ' A' ' 101' ' ' LEU . 44.1 mt-10 -86.26 35.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.76 -41.8 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -89.98 21.79 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.714 HD11 ' HG2' ' A' ' 98' ' ' GLU . 22.2 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 121.637 0.732 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 136.87 33.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -96.41 -39.62 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.1 p -77.81 138.72 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' GLN . 11.5 p-10 -56.79 -49.27 75.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 25.1 pt20 -38.37 -43.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -81.26 -55.09 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 110' ' ' THR . 59.6 t -37.7 -57.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -44.54 -43.51 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ARG . 37.4 m-85 -75.53 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CE1' ' HD2' ' A' ' 121' ' ' LYS . 15.9 t80 -37.51 -53.57 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.54 HD12 HD13 ' A' ' 58' ' ' ILE . 89.9 mt -62.53 -38.32 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.45 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 34.1 mtt180 -63.4 -50.75 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.86 -9.75 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HD2' ' CE1' ' A' ' 117' ' ' PHE . 53.2 tttt -99.57 -20.02 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.536 ' CE2' HD13 ' A' ' 47' ' ' ILE . 52.7 m-85 -122.2 -51.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.518 ' HG3' HD13 ' A' ' 66' ' ' ILE . 12.2 tt0 -63.84 -72.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -63.36 -24.55 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.09 38.3 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -59.95 -59.84 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.16 32.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.459 ' CE1' HD11 ' A' ' 96' ' ' LEU . 79.1 t80 -95.01 118.25 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 t70 . . . . . 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.91 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.747 0.308 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -40.34 -52.08 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.409 HD22 ' HA ' ' A' ' 18' ' ' LEU . 1.2 tm? -55.06 -57.92 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.72 -60.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.6 mt -42.82 -47.38 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 15.2 mttm -51.68 -44.25 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.903 HD11 ' OE1' ' A' ' 86' ' ' GLN . 22.8 mt -59.82 -57.78 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -48.92 -48.27 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -43.28 -43.22 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.78 145.35 19.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 3.3 tp10 -59.36 -36.72 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.93 -22.22 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -121.48 24.97 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.3 -17.27 43.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.454 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 8.8 m-85 -141.55 151.43 43.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.469 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.9 t -38.86 159.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.419 ' C ' ' OD1' ' A' ' 34' ' ' ASP . . . -90.31 0.5 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 33' ' ' ALA . 2.3 m-20 -126.98 -61.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.4 p -95.81 4.95 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.469 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 pt-20 39.99 43.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.03 -178.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -106.92 98.44 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 62.49 0.76 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.79 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.639 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.15 -70.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.533 ' HE1' HD13 ' A' ' 53' ' ' ILE . 57.2 m95 -49.35 163.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -161.39 120.18 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.48 114.96 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 46.1 p-90 -74.9 -54.2 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.487 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -37.95 -32.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.4 mt -100.86 -47.43 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.94 42.44 2.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -144.52 153.42 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 97.2 m-85 -93.81 126.92 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 56' ' ' ALA . 22.4 pt -128.3 159.3 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.94 -176.68 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.533 HD13 ' HE1' ' A' ' 42' ' ' TRP . 5.4 tp -72.76 -29.34 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.1 tmm_? -66.7 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.645 ' HA ' HD12 ' A' ' 58' ' ' ILE . 95.4 m -52.33 -44.85 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -38.54 -46.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -46.37 76.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 55' ' ' CYS . 12.7 mt -59.69 -37.68 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -59.98 -46.51 89.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -57.53 -45.7 84.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.3 m-20 -53.15 -51.3 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' ASN . 24.5 mt -36.78 -55.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.31 138.16 3.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.5 m -47.67 -36.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -65.21 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 123' ' ' GLU . 11.5 mt -84.47 -61.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -148.53 147.71 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.461 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.5 mtp180 -118.04 149.42 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 56' ' ' ALA . 82.4 t -123.27 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -156.1 137.16 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -47.41 167.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.639 HG21 ' O ' ' A' ' 41' ' ' ARG . 8.6 t -100.87 -50.5 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -52.16 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.2 mt -48.44 -41.69 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -96.26 161.42 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -92.15 150.33 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -127.29 165.28 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.1 p -122.28 147.68 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.18 -45.26 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -52.87 -43.86 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -76.18 -34.99 59.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 82' ' ' ILE . 9.2 mm -57.57 -51.05 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' MET . 2.7 m -46.96 -60.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' CYS . 83.2 mmm -36.65 -56.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.903 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.7 mp0 -63.48 -47.83 80.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -52.61 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.5 tpt -73.38 -75.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.62 156.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -52.54 -39.92 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -40.48 -70.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -61.52 -45.1 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.81 -41.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -70.21 -46.95 63.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 22.9 mt -68.13 -7.44 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.422 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.8 OUTLIER -107.74 -67.3 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.401 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 77.0 m-85 -71.14 -50.08 37.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.445 ' CB ' HD12 ' A' ' 101' ' ' LEU . 39.9 mt-10 -86.89 36.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -94.47 -40.44 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.9 19.33 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.445 HD12 ' CB ' ' A' ' 98' ' ' GLU . 18.4 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--O 1.23 0.073 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 145.62 57.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -105.93 -37.13 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 111' ' ' ASP . 34.3 p -73.34 117.89 15.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.3 OUTLIER -34.74 -58.76 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.1 mp0 -35.31 -58.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.62 -50.16 70.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.38 -40.45 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.4 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -73.77 -53.99 9.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 31.5 t80 -43.79 -61.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.416 HD12 HD13 ' A' ' 58' ' ' ILE . 76.7 mt -55.15 -38.84 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 35.3 mtp85 -61.3 -56.82 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.45 -10.04 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 57.5 tttt -91.3 -39.02 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.401 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 75.1 m-85 -108.2 -44.37 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.521 ' HG2' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -66.71 -68.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -67.37 -22.21 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.518 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.8 mmtp 59.19 37.0 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -58.24 -73.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -66.19 -18.65 65.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.518 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 85.5 t80 -46.34 126.8 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.0 t70 . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.893 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.4 m170 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.775 0.322 . . . . 0.0 110.873 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -52.6 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -46.34 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -42.1 -56.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 72' ' ' VAL . 36.3 mt -48.41 -43.73 34.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -65.01 -44.45 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.76 -48.78 63.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HE21 ' A' ' 86' ' ' GLN . 27.9 mt -52.66 -43.86 65.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.12 -13.06 10.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -118.24 36.6 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -119.64 29.41 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 44.74 25.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 7.8 p30 -123.77 -37.84 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 47.0 m-80 -117.23 21.69 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -60.69 -29.99 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.71 165.1 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.0 t -53.57 161.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 3.19 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 121' ' ' LYS . 2.6 m-20 -126.7 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 19.1 p -88.85 -4.18 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE1' ' CZ ' ' A' ' 107' ' ' ARG . 91.7 mt-10 52.2 39.29 26.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.545 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.33 130.76 43.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.21 117.43 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.44 59.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 87.19 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.6 -70.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CE2' HD13 ' A' ' 53' ' ' ILE . 48.4 m95 -59.73 167.29 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.09 130.84 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -89.32 113.19 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 63.4 p-90 -73.04 -50.67 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -44.37 -31.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 122' ' ' TYR . 96.3 mt -97.46 -40.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.82 40.31 4.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 34.9 m -146.4 153.66 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 90.8 m-85 -96.4 118.81 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 pt -121.31 164.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -81.67 177.22 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.51 HG23 ' N ' ' A' ' 54' ' ' ARG . 5.8 tp -64.94 -48.09 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.51 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.8 -62.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.436 ' HA ' HD13 ' A' ' 58' ' ' ILE . 68.5 m -54.28 -45.54 72.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.78 -52.79 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.54 -48.78 7.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.0 mp -62.32 -44.51 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -52.58 -45.08 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 60' ' ' ARG . 29.0 mtp180 -53.25 -50.11 65.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -53.67 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 66' ' ' ILE . 33.5 mt -32.98 -50.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.04 133.56 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.5 m -47.72 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -79.61 -35.53 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 62' ' ' LEU . 36.6 mt -78.71 -54.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 51.2 m -159.64 130.49 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -98.54 152.92 19.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 56' ' ' ALA . 43.6 t -127.22 134.23 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -158.8 142.83 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 17.6 m -57.09 138.1 54.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.499 HG12 HD13 ' A' ' 20' ' ' LEU . 14.5 t -61.99 -47.22 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' LEU . 12.6 t30 -107.12 -65.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 30.2 mt -32.45 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -99.0 158.91 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.8 145.26 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.0 m95 -124.0 176.56 6.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.9 p -136.84 155.25 50.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -46.9 -50.56 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 6.4 mp0 -67.21 -49.83 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.8 mm -48.47 -62.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.6 -48.77 14.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 m -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -38.31 -47.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.645 HE21 HD11 ' A' ' 23' ' ' LEU . 14.8 mp0 -71.28 -44.84 64.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.62 -57.72 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.4 tpt -84.05 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.75 174.73 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.457 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 5.0 m-20 -68.51 -41.51 79.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.2 m -39.63 -64.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' LEU . 48.4 mttm -67.47 -47.57 69.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -39.29 -40.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -74.28 -38.61 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 92' ' ' LYS . 11.8 mt -76.65 -5.5 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -110.14 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 87.4 m-85 -73.61 -48.22 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -84.79 34.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.09 -37.9 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -89.14 18.39 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.2 mt . . . . . 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.96 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.478 ' CZ ' ' HB3' ' A' ' 107' ' ' ARG . 18.8 ttp-105 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.554 0.692 . . . . 0.0 110.847 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.6 48.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -108.05 -38.5 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.1 p -81.04 143.8 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 m-20 -52.11 -47.9 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.5 tp-100 -37.07 -44.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.84 -56.01 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 110' ' ' THR . 62.0 t -42.35 -66.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.577 ' OE2' HG23 ' A' ' 58' ' ' ILE . 5.9 tp10 -32.69 -55.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.72 -47.75 83.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 38.5 t80 -43.74 -61.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.79 -39.41 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -68.55 -8.71 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -124.83 -10.76 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 14.4 ttpt -93.73 -37.02 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 m-85 -106.62 -47.48 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.555 ' HG3' HD13 ' A' ' 66' ' ' ILE . 9.0 tt0 -65.48 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -72.54 -21.42 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.513 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 55.4 mmtt 58.17 36.85 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -57.16 -65.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 33.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.513 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 69.0 t80 -90.53 122.22 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t70 . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.908 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 82' ' ' ILE . 16.0 m170 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.758 0.313 . . . . 0.0 110.871 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' HIS . 10.6 mm100 -36.24 -67.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -48.9 -60.08 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 89.3 mt -38.83 -58.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.67 HD13 HG12 ' A' ' 72' ' ' VAL . 22.9 mt -42.88 -42.84 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -68.43 -38.75 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -59.85 -36.15 76.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 10.8 mt -69.64 -42.6 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.666 HD21 ' CD1' ' A' ' 50' ' ' PHE . 79.0 mt -58.67 -44.6 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -49.68 -31.41 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -67.11 135.82 54.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 11.8 tt0 -51.7 -32.66 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -33.65 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.406 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 3.7 m-20 -116.95 26.96 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 9.6 mmtp -82.75 -17.8 42.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.42 164.61 29.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.2 t -51.38 156.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.16 5.68 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.64 -60.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -94.39 6.6 48.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.457 ' CG ' ' HD3' ' A' ' 107' ' ' ARG . 7.2 mm-40 40.28 35.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.632 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.31 149.96 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -81.73 107.53 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.62 63.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.21 -70.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.69 ' NE1' HD13 ' A' ' 53' ' ' ILE . 54.5 m95 -57.25 168.91 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.04 136.68 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.8 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.582 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 43.4 p-90 -67.44 -53.79 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 68' ' ' ARG . 2.2 p30 -33.89 -40.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.8 mt -95.4 -45.49 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.38 41.32 2.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 29.9 m -140.97 146.54 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.666 ' CD1' HD21 ' A' ' 24' ' ' LEU . 94.7 m-85 -90.54 123.85 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.7 pt -128.4 167.12 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.63 -178.88 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.69 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.2 tp -71.14 -35.89 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.76 -62.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 86.2 m -56.07 -44.62 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -45.07 -52.69 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -39.79 7.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 115' ' ' GLU . 3.3 mp -74.43 -37.31 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.45 -42.39 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 6.7 mtp-105 -56.5 -42.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' LEU . 4.2 m-20 -55.31 -47.38 75.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 66' ' ' ILE . 31.9 mt -34.41 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.05 144.49 5.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.5 m -57.2 -16.75 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.406 ' CD2' HG13 ' A' ' 66' ' ' ILE . 24.6 p-80 -88.74 -26.94 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 62' ' ' LEU . 21.4 mt -89.85 -47.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -156.29 146.74 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.709 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 25.9 mtm180 -124.15 93.87 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 56' ' ' ALA . 60.2 t -68.73 135.98 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -155.67 148.83 24.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.9 m -65.77 133.6 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 20' ' ' LEU . 2.2 t -62.4 -34.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.89 -67.41 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.8 mt -37.94 -34.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -94.06 159.9 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -95.61 119.12 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 18.5 m95 -99.78 166.27 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' ALA . 59.2 p -133.15 151.45 51.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.61 -49.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.64 -51.07 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.582 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -62.95 -25.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 16' ' ' HIS . 18.0 mm -80.94 -29.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -67.43 -28.92 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 85' ' ' MET . 13.0 p -81.22 -43.22 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 80.8 mmm -49.27 -42.0 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.5 OUTLIER -81.71 -59.86 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -42.71 -40.14 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -98.71 -74.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 -162.76 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -98.12 -28.25 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 90.6 m -59.37 -43.14 92.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -87.98 -37.38 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.472 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -59.68 -36.17 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' LEU . 31.6 ptt180 -71.85 -47.39 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.952 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 26.4 mt -68.45 -13.22 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.414 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 1.6 tm? -97.56 -67.65 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.88 -48.59 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.35 37.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.952 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -95.92 -43.79 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.1 23.42 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 18.6 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.988 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 58.5 mtm-85 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.04 41.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -104.47 -40.08 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.5 t -81.71 126.02 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLN . 3.8 t70 -43.5 -50.8 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' ASP . 33.9 tt0 -37.01 -34.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.06 -49.08 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLU . 59.5 t -48.24 -63.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.467 ' CB ' HG12 ' A' ' 58' ' ' ILE . 12.8 tt0 -36.7 -56.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' ARG . 11.0 m-85 -58.97 -58.49 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 29.6 t80 -36.64 -53.24 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.8 -37.75 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.49 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 23.4 mtp85 -68.21 -59.42 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.81 -9.12 25.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 16.8 ttpp -95.3 -43.16 8.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . 3.9 tm-20 -64.29 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -73.83 -25.62 60.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 24.1 mmtp 61.45 40.13 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -61.36 -71.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.18 -18.69 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 86.4 t80 -47.96 118.22 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.5 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 179.921 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' A' ' 19' ' ' ILE . 19.2 m-70 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' HIS . 47.9 mm-40 -35.9 -53.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HG ' ' CE ' ' A' ' 22' ' ' LYS . 60.9 tp -55.43 -53.9 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 16' ' ' HIS . 16.5 mt -49.85 -61.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 77' ' ' TRP . 38.1 mt -41.81 -43.84 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -66.02 -40.88 91.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.405 ' CE ' ' HG ' ' A' ' 18' ' ' LEU . 13.5 mttm -55.55 -44.06 76.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.766 HD11 HE21 ' A' ' 86' ' ' GLN . 27.8 mt -57.4 -49.46 76.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 50' ' ' PHE . 79.9 mt -57.58 -42.55 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -53.32 -43.85 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -44.91 158.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.85 25.04 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.44 ' CG ' ' HB2' ' A' ' 90' ' ' ASN . 2.8 t70 -120.16 -37.07 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -106.02 27.07 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -72.66 -27.05 61.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.419 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.6 m-85 -133.71 175.1 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.7 t -61.38 165.42 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.23 -3.63 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 36.0 m-20 -120.87 -54.12 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 22.8 p -106.56 10.13 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 49.6 mm-40 36.89 39.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -59.46 156.44 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -86.63 106.57 17.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.12 64.09 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 86.56 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -62.1 162.0 10.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -159.52 120.51 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -80.76 101.57 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 69.1 p-90 -66.03 -47.89 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.427 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 3.8 t30 -43.74 -39.08 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.788 HD11 ' OG ' ' A' ' 67' ' ' SER . 71.9 mt -90.08 -50.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.0 41.8 1.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.8 m -151.07 152.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.51 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 87.5 m-85 -93.7 125.6 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.78 169.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.49 178.25 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.2 tt -70.39 -38.14 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.452 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -56.38 -62.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 72.3 m -57.85 -40.08 79.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.671 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -47.38 -53.07 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.7 -38.84 30.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 54' ' ' ARG . 4.5 mp -72.5 -41.91 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.54 -52.23 48.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.7 mtp-105 -45.61 -50.8 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' LEU . 83.1 m-20 -48.57 -48.41 38.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 66' ' ' ILE . 33.1 mt -36.8 -52.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.35 137.73 3.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.0 m -50.58 -26.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.0 p-80 -75.47 -28.59 59.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 62' ' ' LEU . 32.8 mt -89.05 -56.75 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.788 ' OG ' HD11 ' A' ' 47' ' ' ILE . 49.4 m -149.88 130.27 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -109.88 76.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HB1' ' A' ' 56' ' ' ALA . 96.6 t -40.84 130.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -138.57 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.1 p -102.51 135.66 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 43' ' ' ALA . 3.4 t -69.79 -52.39 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 74' ' ' LEU . 62.5 t30 -89.26 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 73' ' ' ASN . 47.4 mt -32.35 -48.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -101.04 163.13 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.97 160.84 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.589 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 16.8 m95 -129.19 143.3 50.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.0 p -106.58 155.55 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.66 -46.16 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.73 -64.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.9 -47.2 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -47.3 -56.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -50.54 -44.59 56.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -52.51 -45.36 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -50.7 -58.69 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.766 HE21 HD11 ' A' ' 23' ' ' LEU . 12.3 mp0 -58.51 -46.09 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.96 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.03 -72.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 170.82 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.8 m120 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' ASN . 93.8 m -34.49 -67.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 95' ' ' LEU . 29.8 mtpt -64.11 -52.22 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -35.88 -37.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -74.34 -44.36 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' LYS . 14.4 mt -69.58 -7.61 40.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.22 -63.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.86 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' TYR . 80.2 m-85 -73.86 -46.26 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.36 36.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.07 -41.72 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -81.53 14.1 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 52.2 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.94 179.893 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 5.0 ptp180 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.43 27.87 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -88.92 -43.69 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 p -74.36 136.34 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 p-10 -50.41 -56.05 13.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.3 pt20 -32.74 -44.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.88 -57.68 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 94.3 t -37.77 -57.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -43.63 -52.98 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.49 -56.93 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 34.6 t80 -42.63 -55.3 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.427 HD11 ' SG ' ' A' ' 55' ' ' CYS . 73.8 mt -61.15 -35.51 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 41.2 mtt180 -65.04 -57.0 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 5.5 m-20 -70.45 -13.82 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 44.8 tttt -86.33 -45.3 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.561 ' CE2' HD13 ' A' ' 47' ' ' ILE . 51.7 m-85 -98.99 -51.95 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.1 tt0 -60.53 -71.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.484 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -64.94 -24.07 67.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 62.3 32.04 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -51.95 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 3.8 m-85 -82.81 36.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -99.55 118.86 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t70 . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.907 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.803 ' NE2' ' HB2' ' A' ' 79' ' ' ALA . 6.2 m170 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.799 0.333 . . . . 0.0 110.862 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' HIS . 51.9 mm-40 -34.18 -62.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.96 -52.73 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 16' ' ' HIS . 36.0 mt -49.56 -59.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.5 mt -45.55 -41.67 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -72.51 -36.97 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.34 -41.45 76.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.746 HD11 HE21 ' A' ' 86' ' ' GLN . 14.8 mt -63.68 -51.18 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 50' ' ' PHE . 57.4 mt -52.07 -49.46 63.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -41.11 -42.79 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.02 140.42 37.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 17.0 tt0 -55.99 -34.85 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.27 -17.69 59.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -126.1 21.17 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 16.3 mmtp -78.67 -22.27 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -138.38 158.98 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 14.7 t -44.45 155.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.43 1.09 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -126.27 -72.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.0 p -82.42 -2.11 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.434 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 16.2 mm-40 47.37 42.99 14.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.62 176.71 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.69 105.64 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . 107.94 63.42 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' ARG . 53.8 Cg_endo -69.79 18.97 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.581 ' O ' HG21 ' A' ' 72' ' ' VAL . 13.3 mmt180 -27.18 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' PRO . 65.1 m95 -45.78 152.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -156.48 147.44 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.61 87.32 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.47 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 27.5 p-90 -46.11 -40.74 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.472 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 26.7 t30 -46.55 -40.82 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 122' ' ' TYR . 88.1 mt -97.34 -48.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.1 41.7 1.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 26.1 m -141.19 155.2 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -98.79 119.03 36.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 56' ' ' ALA . 22.6 pt -121.16 166.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.91 -175.72 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 54' ' ' ARG . 2.8 tp -73.49 -42.03 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.3 tmm_? -55.21 -66.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.855 ' HA ' HD12 ' A' ' 58' ' ' ILE . 94.3 m -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.797 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -39.34 -45.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.97 73.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.2 mt -67.43 -40.85 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.503 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 9.3 m-70 -55.95 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -53.15 -45.5 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' LEU . 97.6 m-20 -52.0 -50.96 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.489 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 17.8 mt -36.9 -53.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 132.86 132.62 3.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 m -40.86 -34.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.9 p-80 -66.87 -40.38 87.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 65' ' ' HIS . 25.1 mt -79.62 -55.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.472 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 1.2 t -143.78 154.21 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -133.22 98.19 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.797 HG11 ' HB1' ' A' ' 56' ' ' ALA . 58.7 t -74.65 139.24 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 11.4 ptmm? -164.58 134.39 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.61 165.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 41' ' ' ARG . 2.7 t -90.48 -40.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.527 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -104.81 -53.7 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 38.1 mt -49.12 -33.81 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.6 155.92 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -90.06 130.41 36.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 18.1 m95 -117.23 168.2 10.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 46.7 p -133.54 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.803 ' HB2' ' NE2' ' A' ' 16' ' ' HIS . . . -36.41 -44.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.65 -55.22 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -63.02 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.7 mm -50.03 -56.7 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -40.6 -49.13 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' MET . 93.7 m -49.64 -58.75 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.485 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 83.8 mmm -34.33 -59.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.746 HE21 HD11 ' A' ' 23' ' ' LEU . 19.6 mp0 -63.08 -48.51 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.91 -53.6 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.1 tpt -86.6 -73.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.83 167.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 m120 -62.17 -44.37 96.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 59.2 m -37.52 -66.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -63.13 -50.75 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.81 -44.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -69.62 -43.93 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.55 -4.87 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.536 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -110.16 -68.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 122' ' ' TYR . 83.4 m-85 -76.7 -44.77 32.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.691 ' HG3' HD11 ' A' ' 101' ' ' LEU . 23.2 tt0 -89.47 36.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.92 -34.13 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.453 ' ND2' ' HB2' ' A' ' 129' ' ' ASP . 18.8 m-80 -90.9 19.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.691 HD11 ' HG3' ' A' ' 98' ' ' GLU . 18.4 mt . . . . . 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.51 40.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -105.43 -37.91 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.3 p -85.06 128.75 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.8 m-20 -41.59 -47.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' ASP . 11.1 tt0 -34.82 -43.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -90.18 -52.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.8 t -42.65 -54.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.448 ' HA ' HG21 ' A' ' 58' ' ' ILE . 17.4 tt0 -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' ARG . 41.3 m-85 -76.24 -58.57 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.57 ' CZ ' ' HE3' ' A' ' 121' ' ' LYS . 25.9 t80 -34.12 -51.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.56 -40.04 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.9 mtp-105 -64.25 -60.19 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 3.6 m-20 -65.05 -11.47 39.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 117' ' ' PHE . 10.2 ttmt -89.29 -42.96 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 47' ' ' ILE . 52.0 m-85 -106.73 -48.6 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' ARG . 13.3 tt0 -59.59 -57.69 11.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 35.8 mmtm -80.34 -23.24 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm 63.04 31.1 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -54.88 -66.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.444 ' C ' ' HB2' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -83.95 35.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' A' ' 96' ' ' LEU . 55.5 t80 -91.48 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.453 ' HB2' ' ND2' ' A' ' 100' ' ' ASN . 5.3 t70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 10.0 m-70 . . . . . 0 C--O 1.23 0.045 0 CA-C-O 120.765 0.317 . . . . 0.0 110.896 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' HIS . 3.3 mm100 -35.77 -69.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.401 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 4.0 tt -39.64 -54.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.83 -51.85 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.18 -38.8 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -67.66 -46.04 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.401 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 49.0 mttt -46.58 -48.87 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.86 HD11 ' OE1' ' A' ' 86' ' ' GLN . 16.8 mt -54.15 -57.26 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 29' ' ' ASN . 46.4 mt -58.64 -20.09 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -106.33 37.81 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -130.65 31.79 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 43.87 25.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.21 -43.06 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.515 ' HB2' HD23 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -113.19 29.48 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.47 -32.26 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 15.5 m-85 -134.41 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 30.0 t -57.24 163.84 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -2.89 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.58 -71.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 25.1 p -79.19 -4.41 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 14.4 mm-40 50.09 40.82 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.29 153.83 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -85.92 114.43 22.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.82 58.32 0.94 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -62.61 -71.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -55.98 167.2 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -163.63 127.57 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -82.4 112.44 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CE3' ' OE1' ' A' ' 81' ' ' GLN . 56.3 p-90 -72.18 -44.63 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -48.29 -45.16 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.0 mt -85.75 -41.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.34 4.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.03 163.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.52 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 96.4 m-85 -102.96 115.65 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.6 pt -119.76 159.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -74.87 -178.63 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 54' ' ' ARG . 17.1 tt -72.27 -41.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.495 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.8 tmm_? -55.86 -65.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.0 m -49.43 -50.15 41.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.647 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -40.11 -50.68 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.47 -49.4 8.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.9 mp -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -49.38 -47.18 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.28 -45.67 80.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 44.0 m-20 -53.95 -51.24 64.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 66' ' ' ILE . 31.9 mt -33.35 -52.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.05 137.01 3.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.2 m -52.48 -27.22 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.413 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.8 p-80 -78.08 -23.83 47.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.546 HD13 ' HG3' ' A' ' 123' ' ' GLU . 39.3 mt -91.35 -58.42 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -157.68 139.0 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -106.35 171.62 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.647 HG11 ' HB1' ' A' ' 56' ' ' ALA . 86.7 t -138.93 142.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.532 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 13.9 ptmm? -169.25 149.58 4.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.28 171.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 43' ' ' ALA . 21.5 t -101.18 -30.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -119.29 -52.61 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 74' ' ' LEU . 4.3 mp -46.21 -28.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.66 144.2 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -83.09 121.18 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.532 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 11.5 m0 -97.4 170.08 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -126.69 141.19 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -38.13 -45.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.16 -45.17 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.589 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 13.8 mm-40 -73.42 -41.41 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' HIS . 50.0 mm -49.69 -62.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.4 tp60 -34.27 -54.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 76.1 m -40.9 -59.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLY . 94.2 mmm -36.11 -57.95 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.86 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.9 mp0 -63.22 -53.9 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -43.66 -43.75 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.2 tpt -99.64 -74.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' MET . . . 63.73 167.37 1.06 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.401 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 3.3 m-20 -62.87 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 m -38.53 -65.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.93 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.08 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.868 HH11 HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -74.24 -37.32 63.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.868 HD23 HH11 ' A' ' 94' ' ' ARG . 11.5 mt -82.63 -3.34 56.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 88.9 m-85 -70.08 -50.09 44.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 101' ' ' LEU . 36.0 mt-10 -86.87 36.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -97.8 -31.86 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -97.31 20.68 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 98' ' ' GLU . 16.4 mt . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.981 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 9.9 mtm-85 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.468 ' CG ' ' HA ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.84 136.01 31.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -103.59 -37.13 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 111' ' ' ASP . 5.9 t -90.03 125.82 35.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 110' ' ' THR . 3.5 t0 -34.28 -54.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.4 mt-30 -35.51 -64.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.73 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.495 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 86.2 t -38.96 -54.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -49.14 -53.49 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -56.98 -51.37 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.542 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 71.2 t80 -46.6 -41.57 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 65.9 mt -81.9 -33.05 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -73.78 -7.45 52.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.92 -15.43 6.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 17.8 tttp -87.82 -45.6 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 33.8 m-85 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.546 ' HG3' HD13 ' A' ' 66' ' ' ILE . 3.4 tt0 -60.87 -70.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -65.06 -21.19 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 42.2 mmtt 60.25 39.95 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -61.63 -72.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.419 ' CD2' HD23 ' A' ' 101' ' ' LEU . 7.0 m-85 -66.94 -12.96 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.537 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 83.8 t80 -53.69 120.0 5.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 10.2 t70 . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.954 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.451 ' HA ' HD12 ' A' ' 19' ' ' ILE . 40.0 m-70 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.725 0.297 . . . . 0.0 110.845 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' HIS . 13.7 mp0 -33.88 -62.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.452 HD21 ' HE3' ' A' ' 22' ' ' LYS . 11.1 tp -46.71 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 16' ' ' HIS . 43.4 mt -35.04 -68.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 72' ' ' VAL . 10.6 mt -42.94 -45.25 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -64.76 -38.87 92.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HE3' HD21 ' A' ' 18' ' ' LEU . 36.4 mttt -59.79 -36.37 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.618 HD11 HE21 ' A' ' 86' ' ' GLN . 42.3 mt -67.55 -55.05 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 50' ' ' PHE . 56.9 mt -48.09 -43.27 30.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -45.96 -33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -66.21 137.69 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.6 -31.68 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 91' ' ' THR . 2.5 t70 -67.35 -24.28 65.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -117.94 13.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -77.4 -24.19 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -132.48 157.71 43.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.5 t -47.05 161.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.07 2.75 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -129.07 -57.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.2 p -100.67 9.56 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 8.3 mt-10 37.34 38.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.612 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.77 173.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -100.81 103.88 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.9 63.24 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 81.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -46.06 167.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -161.4 148.38 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -109.92 106.82 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 51.5 p-90 -68.1 -53.93 21.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.457 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 5.7 t30 -35.04 -45.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.6 HD13 ' CE1' ' A' ' 122' ' ' TYR . 79.0 mt -90.43 -45.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 46.81 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.427 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.9 m -152.02 150.36 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CD2' HD21 ' A' ' 24' ' ' LEU . 88.4 m-85 -92.63 122.27 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.85 157.56 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.68 173.04 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 54' ' ' ARG . 8.6 tt -61.59 -49.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.61 -59.7 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.3 m -56.15 -45.06 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.878 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.64 -54.1 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.82 -51.9 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.533 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -61.14 -38.6 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.84 -35.62 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 39.7 mtp180 -62.4 -46.94 86.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.7 -48.35 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 18.5 mt -32.92 -49.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.89 142.89 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 m -56.93 -15.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -88.51 -38.94 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 62' ' ' LEU . 20.1 mt -76.15 -49.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -166.1 142.62 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -113.15 150.51 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.878 HG11 ' HB1' ' A' ' 56' ' ' ALA . 41.1 t -124.58 137.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -159.1 139.73 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 14.3 m -54.16 152.7 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.546 HG12 HD13 ' A' ' 20' ' ' LEU . 2.7 t -81.33 -51.71 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -95.25 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 56.2 mt -42.42 -42.03 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.3 159.96 14.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -93.76 156.67 16.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.591 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 19.0 m95 -130.19 173.69 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' ALA . 22.7 p -136.67 144.99 44.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.82 -45.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -48.59 -53.85 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.485 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.6 mp0 -72.25 -48.21 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.49 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 14.2 mm -44.95 -53.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -51.68 -43.27 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 30.5 t -53.37 -57.78 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' CYS . 87.6 mmm -35.38 -53.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.618 HE21 HD11 ' A' ' 23' ' ' LEU . 7.0 mp0 -68.66 -50.13 53.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -43.6 -46.07 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.5 tpt -94.34 -73.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.76 156.72 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.4 m120 -53.29 -52.02 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASN . 31.3 m -33.25 -63.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -64.17 -50.71 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.427 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -41.96 -33.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -76.41 -48.56 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.58 -6.8 16.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.469 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.6 OUTLIER -110.85 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 122' ' ' TYR . 77.3 m-85 -73.93 -48.0 33.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.467 ' HG2' HD11 ' A' ' 101' ' ' LEU . 18.1 mt-10 -86.94 36.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.11 -34.85 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -95.91 23.05 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.467 HD11 ' HG2' ' A' ' 98' ' ' GLU . 23.1 mt . . . . . 0 C--N 1.328 -0.365 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.79 36.33 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -101.83 -40.16 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.7 p -76.28 138.24 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -54.59 -44.26 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -43.81 -49.94 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 110' ' ' THR . 86.4 t -39.93 -58.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.69 -53.41 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 119' ' ' ARG . 18.3 m-85 -67.88 -58.46 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 11.8 t80 -36.61 -50.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.19 -40.77 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.6 mtp-105 -65.38 -59.06 4.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 7.6 m-20 -64.3 -17.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 43.2 tttt -85.43 -44.49 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.6 ' CE1' HD13 ' A' ' 47' ' ' ILE . 72.3 m-85 -99.98 -53.38 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.601 ' HG3' HD13 ' A' ' 66' ' ' ILE . 6.0 tt0 -57.78 -60.97 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.1 mmmt -76.25 -17.61 59.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.529 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 27.7 mmtm 57.78 27.95 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -47.76 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.3 m-85 -83.27 37.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.529 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 34.6 t80 -96.73 121.55 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 t0 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.566 ' HA ' HD12 ' A' ' 19' ' ' ILE . 4.5 m-70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.747 0.308 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.4 mm-40 -37.48 -51.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.538 HD22 ' HE3' ' A' ' 22' ' ' LYS . 2.4 tt -57.25 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 16' ' ' HIS . 24.1 mt -35.43 -63.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.594 HD13 HG12 ' A' ' 72' ' ' VAL . 41.8 mt -35.84 -46.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 t -63.89 -42.57 97.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HE3' HD22 ' A' ' 18' ' ' LEU . 14.8 mttm -57.44 -35.22 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.775 HD11 HE21 ' A' ' 86' ' ' GLN . 24.8 mt -68.83 -50.37 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.8 HD21 ' CD2' ' A' ' 50' ' ' PHE . 40.6 mt -54.59 -46.42 73.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -45.63 -39.27 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -58.82 130.85 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 1.2 pm0 -47.84 -28.73 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -65.77 -36.7 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 1.5 m-20 -115.18 29.51 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 23.6 mttp -84.01 -33.83 24.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.44 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.3 m-85 -123.87 157.94 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.471 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.7 t -43.62 161.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.08 0.35 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.7 -56.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 21.5 p -100.76 5.06 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 7.9 pt-20 40.58 42.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -61.28 165.32 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -92.08 105.46 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.43 60.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.8 Cg_endo -69.75 84.27 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.492 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.69 -75.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.462 ' HE1' HD12 ' A' ' 53' ' ' ILE . 72.8 m95 -46.2 164.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -160.83 121.49 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -79.77 97.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 46' ' ' ASN . 61.6 p-90 -61.1 -50.65 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.664 ' N ' ' CE3' ' A' ' 45' ' ' TRP . 4.3 t30 -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.14 -47.91 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.79 44.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 90' ' ' ASN . 35.7 m -154.46 164.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.8 ' CD2' HD21 ' A' ' 24' ' ' LEU . 97.4 m-85 -100.34 125.13 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.17 155.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.4 170.28 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HE1' ' A' ' 42' ' ' TRP . 8.7 tt -64.22 -34.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' HD12 ' A' ' 58' ' ' ILE . 6.3 tmm_? -60.67 -53.06 62.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.42 -46.69 82.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.811 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -42.95 -47.29 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.41 75.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.952 HG23 ' OE2' ' A' ' 115' ' ' GLU . 4.5 mp -71.82 -32.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -59.84 -45.6 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.1 mtp-105 -48.71 -48.84 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.6 m-80 -49.06 -51.02 33.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 66' ' ' ILE . 18.9 mt -34.69 -53.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.15 139.95 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -49.51 -29.96 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.2 p-80 -70.97 -33.91 70.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.586 HD13 ' HG3' ' A' ' 123' ' ' GLU . 13.9 mt -84.54 -45.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -165.5 145.81 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mtt180 -121.63 91.72 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.811 HG21 ' O ' ' A' ' 56' ' ' ALA . 72.9 t -55.25 128.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HD2' ' CD1' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -152.35 142.4 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 58.2 m -54.1 174.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.594 HG12 HD13 ' A' ' 20' ' ' LEU . 5.8 t -109.03 -48.46 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.69 -36.25 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.46 -31.12 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -98.53 158.33 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.28 137.33 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 11.6 m0 -120.45 178.12 4.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 p -148.56 160.21 43.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.89 -43.33 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.82 -62.37 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -62.88 -45.16 93.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 82' ' ' ILE . 26.2 mm -50.87 -61.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -45.53 -44.62 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.95 -59.14 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.8 mmm -40.15 -50.53 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.775 HE21 HD11 ' A' ' 23' ' ' LEU . 19.5 mp0 -67.68 -45.23 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.45 -61.88 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -82.39 -72.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.64 171.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.459 ' HA ' HG12 ' A' ' 49' ' ' VAL . 1.5 m-20 -63.22 -41.76 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.0 m -40.22 -71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.5 -46.49 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -42.31 -38.91 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -69.64 -46.31 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 17.6 mt -69.29 -10.31 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -104.41 -68.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 97.2 m-85 -71.87 -46.02 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -92.12 36.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -102.26 -37.15 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.66 17.19 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 127' ' ' TYR . 24.9 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.25 19.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -91.43 -39.79 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.6 p -82.33 131.82 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -46.07 -48.36 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.7 OUTLIER -37.32 -44.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -80.16 -61.03 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 113' ' ' ALA . 54.7 t -33.83 -61.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.952 ' OE2' HG23 ' A' ' 58' ' ' ILE . 3.8 tp10 -40.86 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ARG . 28.3 m-85 -68.59 -58.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.9 t80 -36.82 -48.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.34 -40.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.456 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 55.3 mtt180 -63.09 -57.18 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -22.06 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 19.2 tttp -76.65 -48.23 19.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.675 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 50.4 m-85 -99.44 -68.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HG3' HD13 ' A' ' 66' ' ' ILE . 13.2 tt0 -39.88 -59.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -77.35 -20.19 55.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 44.7 mmtm 62.9 25.25 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -44.12 -68.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 101' ' ' LEU . 4.7 m-85 -83.56 34.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 62.8 t80 -89.65 122.14 32.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 t0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.876 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.707 ' HA ' HD12 ' A' ' 19' ' ' ILE . 16.4 m-70 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.707 0.289 . . . . 0.0 110.853 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' HIS . 12.5 mm100 -33.07 -66.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 13.9 tp -43.23 -52.47 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.707 HD12 ' HA ' ' A' ' 16' ' ' HIS . 64.0 mt -48.17 -65.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.02 -49.37 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 t -62.66 -38.42 90.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -60.56 -40.2 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.879 HD11 HE21 ' A' ' 86' ' ' GLN . 31.1 mt -62.94 -50.64 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.629 HD21 ' CD2' ' A' ' 50' ' ' PHE . 70.7 mt -51.37 -46.07 62.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -44.06 -40.83 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.24 131.13 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -46.51 -32.57 3.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.32 -37.9 82.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -114.37 25.24 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 43.6 mttt -81.75 -30.31 32.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.47 166.51 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.0 t -57.92 166.47 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.43 -6.46 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.49 -50.39 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.0 p -110.82 11.76 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.7 mm-40 35.39 36.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.05 161.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -91.08 106.54 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.85 58.82 1.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.1 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.325 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 72' ' ' VAL . 9.9 tpp85 -58.18 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' ARG . 62.6 m95 -44.08 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.98 135.33 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.051 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -91.63 109.91 21.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 48.6 p-90 -68.78 -55.63 10.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.1 p30 -37.81 -46.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 95.7 mt -83.03 -47.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.22 40.49 2.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.511 HG11 ' CB ' ' A' ' 93' ' ' ALA . 34.6 m -145.33 159.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.629 ' CD2' HD21 ' A' ' 24' ' ' LEU . 96.6 m-85 -98.22 122.53 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -124.47 160.35 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.3 175.65 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 54' ' ' ARG . 15.9 tt -65.38 -43.01 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.569 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.1 tmm_? -54.54 -60.49 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 61.7 m -55.46 -48.18 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.676 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.88 -49.9 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.29 12.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -66.9 -46.34 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -45.56 -50.12 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -48.22 -47.78 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' LEU . 10.0 m-20 -54.14 -52.32 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 61' ' ' ASN . 38.3 mt -32.13 -54.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 139.66 3.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 m -52.88 -31.14 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.4 p-80 -71.19 -35.94 71.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' ' 65' ' ' HIS . 45.9 mt -79.46 -60.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 t -158.36 133.61 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -100.99 167.46 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.676 HG11 ' HB1' ' A' ' 56' ' ' ALA . 65.3 t -138.57 132.99 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -156.92 145.45 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.2 m -54.94 158.56 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 41' ' ' ARG . 11.5 t -88.48 -45.67 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -105.71 -48.19 3.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.7 mt -49.18 -42.47 40.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.18 168.62 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -91.66 165.58 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 26.8 m95 -142.9 -179.89 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -149.32 149.3 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.98 -49.36 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -45.28 -43.54 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -82.11 -47.05 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 38.2 mm -52.31 -59.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 7.1 tp60 -46.19 -42.3 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.6 m -59.89 -52.3 66.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 79.0 mmm -39.03 -46.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.879 HE21 HD11 ' A' ' 23' ' ' LEU . 12.1 mp0 -75.22 -46.96 30.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -49.16 -44.57 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.0 tpt -95.47 -72.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.11 178.98 5.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.93 -40.68 65.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.6 m -40.43 -65.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 93' ' ' ALA . 57.9 mttm -63.64 -50.46 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.511 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -37.1 -41.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.16 -47.6 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 20.2 mt -65.87 -10.47 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.6 tm? -105.46 -64.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 127' ' ' TYR . 96.1 m-85 -75.61 -47.16 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -84.53 30.52 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -99.67 -41.08 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -82.48 16.15 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 127' ' ' TYR . 20.4 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.928 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 . . . . . 0 C--O 1.232 0.135 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.407 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.87 -40.39 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 114' ' ' VAL . 20.8 p -88.65 156.12 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -59.25 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 12.3 pt20 -35.71 -40.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.465 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -85.32 -59.56 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 95.5 t -41.82 -52.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -44.27 -52.6 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.21 -49.09 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.597 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 39.1 t80 -41.46 -51.78 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.2 mt -69.21 -38.04 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 19.9 mtp180 -71.93 -6.76 44.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -119.99 -23.55 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 25.0 ttpt -84.45 -47.11 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 56.6 m-85 -95.97 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.48 ' HG3' HD13 ' A' ' 66' ' ' ILE . 2.4 tt0 -48.02 -62.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 30.3 mtpp -73.85 -23.42 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.534 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 41.9 mmtt 65.18 27.23 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -47.1 -64.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 101' ' ' LEU . 4.3 m-85 -88.38 37.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.534 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 57.0 t80 -96.66 118.01 32.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t0 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.67 ' HA ' HD12 ' A' ' 19' ' ' ILE . 27.2 m170 . . . . . 0 CA--C 1.526 0.046 0 CA-C-O 120.784 0.326 . . . . 0.0 110.867 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -41.12 -54.58 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.31 -53.63 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 16' ' ' HIS . 58.7 mt -43.96 -64.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.678 HD13 HG12 ' A' ' 72' ' ' VAL . 15.2 mt -38.56 -45.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -63.47 -46.57 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -39.77 58.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.804 HD11 HE21 ' A' ' 86' ' ' GLN . 23.5 mt -63.1 -53.87 46.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.81 -40.72 56.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -49.69 -40.35 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.69 138.05 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 48.8 mt-10 -52.03 -35.42 46.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.41 -29.04 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.5 29.76 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 21.3 mmtt -85.52 -20.62 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.14 158.95 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.38 160.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.65 3.9 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -130.4 -56.25 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 19.0 p -99.53 9.72 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 40.12 34.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.673 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -59.71 147.81 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -83.76 111.93 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 40' ' ' PRO . . . 93.03 54.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.496 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 39' ' ' GLY . 53.9 Cg_endo -69.76 79.85 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -55.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -43.85 167.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.66 149.28 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -106.93 110.19 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 31.8 p-90 -70.14 -57.19 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' TRP . 9.9 t30 -35.0 -47.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.608 HD13 ' CE2' ' A' ' 122' ' ' TYR . 82.1 mt -85.08 -48.63 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.4 39.94 2.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.14 148.91 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.467 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 98.5 m-85 -91.85 124.86 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.4 pt -128.72 159.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.94 -174.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.65 -20.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.456 ' NH2' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -75.03 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 85.8 m -55.49 -42.47 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.76 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.37 -51.38 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.87 -41.9 21.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.59 -29.39 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -67.29 -49.5 64.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 6.5 mtp-105 -51.88 -40.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -57.57 -50.66 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 31.9 mt -38.05 -59.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 142.9 133.19 2.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -44.8 -30.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.595 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.8 p-80 -73.17 -35.65 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.595 HG13 ' CD2' ' A' ' 65' ' ' HIS . 74.7 mt -78.21 -52.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -156.06 132.31 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HB3' ' NE1' ' A' ' 45' ' ' TRP . 22.7 mmm-85 -100.05 129.14 46.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HB1' ' A' ' 56' ' ' ALA . 43.3 t -110.33 139.64 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 45' ' ' TRP . 20.8 pttt -172.53 130.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t -44.28 164.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 20' ' ' LEU . 2.5 t -88.52 -46.92 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -95.82 -65.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.4 mt -38.61 -33.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -101.35 163.07 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . 0.441 ' C ' ' CD1' ' A' ' 77' ' ' TRP . 21.9 pt20 -88.41 159.05 18.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.532 ' CE2' ' HE3' ' A' ' 70' ' ' LYS . 32.4 m95 -145.1 149.79 35.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -124.79 157.02 36.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.23 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -47.04 -47.67 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.71 -41.74 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.505 HG13 ' CG ' ' A' ' 16' ' ' HIS . 31.5 mm -53.89 -59.67 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -43.08 -48.98 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.7 m -50.37 -58.65 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.467 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 90.2 mmm -37.81 -51.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.804 HE21 HD11 ' A' ' 23' ' ' LEU . 8.5 mp0 -69.57 -50.33 45.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -47.63 -60.36 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.5 tpt -78.05 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.18 171.68 4.12 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.05 -37.31 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.1 m -45.43 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -59.34 -44.57 92.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.12 -41.19 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -74.68 -38.61 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.29 -2.75 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -114.3 -68.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.627 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 92.5 m-85 -68.97 -53.55 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 40.5 mt-10 -88.05 37.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.71 -35.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.01 18.72 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.53 HD23 ' CD2' ' A' ' 127' ' ' TYR . 49.2 mt . . . . . 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 7.8 ttm105 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 142.32 47.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -104.16 -35.95 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 114' ' ' VAL . 81.3 p -88.33 146.36 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.85 -40.93 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -40.42 -35.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.42 -52.01 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.456 HG21 ' NH2' ' A' ' 54' ' ' ARG . 90.7 t -44.94 -61.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' VAL . 6.4 tm-20 -38.05 -55.51 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -62.0 -55.06 33.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 38.7 t80 -41.2 -51.44 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.89 -39.84 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 49.9 mtt-85 -62.33 -57.73 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.66 -8.15 53.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 23.2 tttt -85.98 -39.56 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.627 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 78.1 m-85 -110.8 -49.14 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.9 tm-20 -58.6 -56.16 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -80.09 -20.39 45.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 34.8 mmtm 60.52 29.7 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.59 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' A' ' 101' ' ' LEU . 6.3 m-85 -64.33 -21.03 66.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 44.1 t80 -47.31 124.73 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 t70 . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.914 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.444 ' O ' ' C ' ' A' ' 17' ' ' GLN . 5.6 m-70 . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.773 0.32 . . . . 0.0 110.89 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' HIS . 1.9 mp0 -33.51 -64.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ILE . 11.3 tp -44.32 -67.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' LEU . 34.1 mt -33.98 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.585 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 12.1 mt -42.2 -45.28 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' LEU . 26.9 t -64.99 -42.43 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -54.73 -31.3 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.661 HD11 HE21 ' A' ' 86' ' ' GLN . 37.4 mt -73.1 -48.56 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 50' ' ' PHE . 66.7 mt -50.87 -40.59 56.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -48.07 -48.07 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.39 139.53 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.91 -13.11 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -18.17 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -123.8 16.96 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -78.56 -23.61 46.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.92 167.63 17.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.468 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 23.2 t -58.69 164.34 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.13 -1.04 52.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.24 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -88.26 -2.56 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 4.9 mp0 49.42 35.17 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.606 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -64.03 160.89 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -91.32 117.4 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.07 56.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 82.67 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' HG21 ' A' ' 72' ' ' VAL . 12.6 tpp180 -62.7 -75.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.476 ' HE1' HD12 ' A' ' 53' ' ' ILE . 72.5 m95 -48.08 167.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 138.34 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.51 111.75 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 24.3 p-90 -75.01 -53.24 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -37.24 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.611 HD11 ' OG ' ' A' ' 67' ' ' SER . 89.5 mt -106.37 -44.2 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.92 49.98 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 m -150.62 141.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD2' HD21 ' A' ' 24' ' ' LEU . 61.2 m-85 -87.67 122.61 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 56' ' ' ALA . 21.3 pt -124.69 157.44 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -73.34 -175.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.476 HD12 ' HE1' ' A' ' 42' ' ' TRP . 5.2 tt -74.22 -41.84 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 94.5 m -50.56 -50.08 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -41.54 -47.91 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.61 -37.6 34.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.2 mp -73.56 -33.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.64 -37.4 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.15 -48.15 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -53.77 -48.59 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.511 HD22 ' HG2' ' A' ' 119' ' ' ARG . 16.0 mt -37.41 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.84 143.94 4.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.19 -15.76 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -89.95 -14.54 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.1 mt -102.95 -51.79 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.611 ' OG ' HD11 ' A' ' 47' ' ' ILE . 31.8 m -158.82 121.15 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.01 140.06 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.527 HG11 ' HB1' ' A' ' 56' ' ' ALA . 48.0 t -117.92 133.69 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.51 141.71 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 67.3 m -60.63 142.8 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.568 HG12 HD13 ' A' ' 20' ' ' LEU . 1.5 t -66.82 -34.48 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ASP . 6.7 t30 -117.95 -63.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 22.6 mt -38.19 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 73' ' ' ASN . 4.2 m-20 -111.05 161.23 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.31 147.85 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.585 ' CZ3' HD21 ' A' ' 20' ' ' LEU . 11.0 m95 -125.49 -174.97 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 p -148.68 143.96 26.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.26 -52.19 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.51 -38.09 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.553 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 90.8 mt-30 -78.05 -40.42 38.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.3 mm -55.68 -57.34 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -41.22 -48.11 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' MET . 94.2 m -52.01 -57.73 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 81.3 mmm -36.85 -57.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.661 HE21 HD11 ' A' ' 23' ' ' LEU . 8.1 mp0 -60.28 -51.93 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 tpt -72.07 -73.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.34 168.45 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.38 -42.55 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.4 m -42.03 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' ALA . 43.5 mtpt -60.21 -48.37 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -37.44 -37.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.81 -47.85 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.667 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 16.4 mt -69.11 -7.0 31.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -108.02 -61.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.433 ' OH ' HG23 ' A' ' 47' ' ' ILE . 96.5 m-85 -76.21 -38.81 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.578 ' HG2' ' HZ2' ' A' ' 121' ' ' LYS . 36.7 mt-10 -100.12 37.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -100.63 -27.49 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -97.08 16.4 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.58 HD11 ' NZ ' ' A' ' 121' ' ' LYS . 43.8 mt . . . . . 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.621 0.725 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.09 64.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -119.22 -37.17 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.76 134.2 39.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.2 m-20 -46.67 -59.48 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.2 pt20 -35.3 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -92.94 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' ALA . 77.7 t -36.11 -58.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -38.8 -49.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 119' ' ' ARG . 24.5 m-85 -66.12 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.552 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 31.5 t80 -37.3 -45.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.3 mt -68.63 -36.39 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.511 ' HG2' HD22 ' A' ' 62' ' ' LEU . 7.7 mtp-105 -69.35 -44.8 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 4.9 m-20 -72.78 -13.26 61.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.58 ' NZ ' HD11 ' A' ' 101' ' ' LEU . 18.9 ttmt -105.63 -22.25 13.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -117.95 -47.29 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 2.9 tt0 -65.11 -69.48 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.491 ' CD ' ' HE2' ' A' ' 126' ' ' LYS . 41.8 mttm -74.61 -25.68 59.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 27.7 mmtp 63.87 44.15 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.491 ' HE2' ' CD ' ' A' ' 124' ' ' LYS . 17.8 mtmt -68.26 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -76.67 4.74 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.408 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 91.1 t80 -73.32 121.42 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.459 ' O ' HD11 ' A' ' 96' ' ' LEU . 7.6 t0 . . . . . 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.871 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.485 ' HA ' HD12 ' A' ' 19' ' ' ILE . 10.0 m170 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.737 0.304 . . . . 0.0 110.872 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 16' ' ' HIS . 36.6 mm-40 -32.16 -55.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' ILE . 4.9 tt -56.73 -64.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 16' ' ' HIS . 80.5 mt -33.13 -64.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' ILE . 28.5 mt -34.24 -57.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 24' ' ' LEU . 11.9 t -62.03 -40.01 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' ILE . 4.1 ttmm -55.75 -44.01 77.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.499 HD12 ' HZ ' ' A' ' 50' ' ' PHE . 20.4 mt -58.67 -49.94 75.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.54 HD21 ' CD2' ' A' ' 50' ' ' PHE . 40.7 mt -50.67 -44.71 57.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -42.87 -41.76 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -60.43 135.96 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -49.35 -35.49 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.39 -38.41 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -113.84 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.95 -26.84 28.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 1.8 m-85 -130.17 158.42 39.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.456 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.8 t -51.41 165.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.72 -6.85 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -117.9 -60.25 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.0 p -99.77 8.94 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.456 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 9.0 mm-40 40.01 35.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.709 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.99 139.91 57.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -68.52 126.61 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.73 59.87 3.35 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.2 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.677 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.8 -72.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.503 ' NE1' HG12 ' A' ' 53' ' ' ILE . 52.7 m95 -43.3 162.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.54 121.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -83.83 110.99 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD2' ' N ' ' A' ' 46' ' ' ASN . 70.0 p-90 -69.36 -46.56 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 45.4 t30 -43.73 -47.12 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.07 -48.97 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 38.88 2.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.19 153.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.54 ' CD2' HD21 ' A' ' 24' ' ' LEU . 89.2 m-85 -96.98 120.76 37.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 pt -122.69 168.15 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.35 -174.33 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.503 HG12 ' NE1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.39 -39.2 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.485 ' NH2' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -59.87 -67.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 90.2 m -46.89 -50.67 18.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.768 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -42.8 -49.54 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.33 -43.87 34.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -68.07 -44.43 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.078 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -48.27 -50.42 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -47.44 -49.87 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 62' ' ' LEU . 51.8 m-20 -52.02 -52.1 53.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 61' ' ' ASN . 32.0 mt -34.17 -55.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.36 132.49 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 65' ' ' HIS . 31.1 m -43.18 -45.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.566 ' CD2' HG13 ' A' ' 66' ' ' ILE . 16.6 p-80 -58.51 -40.08 81.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 65' ' ' HIS . 12.2 mt -74.34 -54.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t -151.76 130.33 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -113.17 73.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.768 HG11 ' HB1' ' A' ' 56' ' ' ALA . 85.9 t -41.37 131.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -145.39 131.52 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -57.61 152.72 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.677 HG21 ' O ' ' A' ' 41' ' ' ARG . 4.0 t -85.13 -40.79 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.85 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -41.23 -36.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 157.43 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -96.53 154.68 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -123.41 -175.07 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -146.15 148.86 33.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -49.57 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.89 -47.66 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.32 -41.55 66.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.506 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 21.6 mm -50.45 -60.3 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -42.9 -42.17 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.3 t -57.61 -51.54 69.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 79.6 mmm -44.06 -56.35 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 6.0 mp0 -63.07 -43.97 97.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -51.51 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -74.72 -69.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.23 174.26 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -68.05 -43.84 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.1 m -38.63 -67.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -60.36 -51.46 69.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.37 -44.33 65.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 32.3 mt -70.55 -8.57 52.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -106.88 -64.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.509 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 87.7 m-85 -73.78 -45.46 51.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.597 ' HG2' HD11 ' A' ' 101' ' ' LEU . 23.2 mt-10 -88.6 35.42 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -102.31 -44.15 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -83.35 19.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.597 HD11 ' HG2' ' A' ' 98' ' ' GLU . 25.4 mt . . . . . 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.937 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.71 145.02 56.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 0.0 112.355 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.17 -41.81 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t -102.99 157.15 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.5 m-20 -50.82 -43.26 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 25.0 tt0 -38.17 -34.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -106.42 -50.84 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.485 HG21 ' NH2' ' A' ' 54' ' ' ARG . 93.2 t -46.8 -64.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 114' ' ' VAL . 30.2 tt0 -35.09 -54.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -64.48 -52.34 58.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.582 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 28.8 t80 -41.6 -49.25 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.22 -35.8 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -70.85 -8.87 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.402 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.9 m-20 -123.64 -17.39 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 74.7 tttt -82.65 -47.15 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.509 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 68.1 m-85 -98.2 -55.17 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -64.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.8 mmtp -70.46 -22.17 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.8 mmtm 62.77 29.83 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -52.24 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.453 ' CD2' HD23 ' A' ' 101' ' ' LEU . 2.2 m-85 -87.17 39.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 67.2 t80 -97.6 118.65 34.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.887 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 19' ' ' ILE . 4.8 m170 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.711 0.291 . . . . 0.0 110.831 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 16' ' ' HIS . 17.1 mm100 -30.78 -46.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -66.52 -50.87 61.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 16' ' ' HIS . 57.9 mt -49.95 -54.74 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.589 HD13 HG12 ' A' ' 72' ' ' VAL . 18.4 mt -47.17 -44.37 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -66.27 -42.87 87.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -50.87 -47.67 60.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.9 HD11 HE21 ' A' ' 86' ' ' GLN . 24.1 mt -54.61 -49.34 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.628 HD21 ' CD2' ' A' ' 50' ' ' PHE . 11.6 mt -63.52 -26.56 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -92.85 -3.11 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -89.43 29.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 42.16 38.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -123.83 -44.96 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -112.08 30.57 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -68.17 -17.27 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 20.3 m-85 -138.17 149.08 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.8 t -41.77 147.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.625 ' HB2' ' ND2' ' A' ' 90' ' ' ASN . . . -80.22 8.06 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -134.96 -65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -92.61 11.1 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' CYS . 45.1 mm-40 35.0 47.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -65.89 160.08 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -89.03 102.83 15.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.19 58.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 81.19 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -73.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -50.51 167.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.28 140.25 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 106.25 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 27.8 p-90 -65.25 -56.16 14.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -33.7 -39.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 122' ' ' TYR . 68.0 mt -94.99 -40.72 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' GLY . . . 97.28 31.46 6.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 93' ' ' ALA . 16.8 m -136.99 146.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 24' ' ' LEU . 26.4 m-85 -87.33 133.4 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.2 169.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.2 p -85.5 179.01 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 tt -70.77 -35.01 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.508 ' NH2' HG21 ' A' ' 114' ' ' VAL . 7.2 tmm_? -59.57 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.548 ' SG ' HD11 ' A' ' 118' ' ' ILE . 95.5 m -53.43 -45.23 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.877 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -44.31 -52.15 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.33 -38.88 34.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 54' ' ' ARG . 4.3 mp -73.11 -38.63 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.17 -49.49 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -48.94 -47.66 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 75.2 m-20 -48.52 -49.77 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 24.2 mt -37.52 -54.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.76 143.73 4.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.11 -13.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -91.56 -28.38 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 62' ' ' LEU . 37.4 mt -89.1 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.476 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 6.9 p -164.27 132.69 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -109.77 127.27 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.877 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.8 t -99.2 140.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.05 143.32 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -53.87 163.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.589 HG12 HD13 ' A' ' 20' ' ' LEU . 3.4 t -89.7 -42.08 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -102.69 -56.43 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 76.5 mt -44.33 -38.3 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.76 163.5 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -96.46 142.42 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 16.6 m95 -126.24 163.81 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 p -125.97 140.52 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -37.73 -46.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -52.17 -50.24 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.493 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 8.4 mm-40 -67.62 -38.96 84.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.7 mm -50.77 -55.38 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . 0.427 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 6.2 tp60 -38.76 -53.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 85.2 m -47.41 -58.88 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' CYS . 82.4 mmm -36.66 -44.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.9 HE21 HD11 ' A' ' 23' ' ' LEU . 16.7 mp0 -78.3 -47.73 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.11 -28.96 28.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.1 tpt -108.03 -75.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 53.94 170.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . 0.625 ' ND2' ' HB2' ' A' ' 33' ' ' ALA . 1.1 m-80 -61.84 -42.22 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.9 m -40.34 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -59.51 -47.71 84.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.595 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -38.64 -48.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HG3' ' CD ' ' A' ' 98' ' ' GLU . 19.5 ttm180 -66.72 -40.14 88.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.25 -1.84 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.485 HD21 ' O ' ' A' ' 129' ' ' ASP . 1.3 tm? -114.9 -69.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -70.37 -48.48 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.605 ' HG2' HD12 ' A' ' 101' ' ' LEU . 4.2 tt0 -83.22 35.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.52 -37.55 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . 0.415 ' HB2' ' C ' ' A' ' 127' ' ' TYR . 39.8 m-20 -88.57 21.0 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.605 HD12 ' HG2' ' A' ' 98' ' ' GLU . 16.3 mt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 . . . . . 0 C--O 1.232 0.138 0 CA-C-O 121.538 0.685 . . . . 0.0 110.881 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.91 34.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -102.28 -38.72 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.5 p -86.32 152.77 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.88 -45.81 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -39.0 -35.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -93.68 -65.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.508 HG21 ' NH2' ' A' ' 54' ' ' ARG . 74.5 t -34.98 -54.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -43.05 -48.26 6.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -75.31 -51.71 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 78.7 t80 -42.55 -45.76 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.548 HD11 ' SG ' ' A' ' 55' ' ' CYS . 88.5 mt -69.95 -38.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 123' ' ' GLU . 34.9 mtp85 -65.47 -59.71 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -11.33 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.455 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -89.78 -43.38 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 47' ' ' ILE . 64.0 m-85 -104.29 -47.22 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' ARG . 8.8 tt0 -62.36 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.69 -21.54 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt 59.18 37.92 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -62.63 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.593 ' CD2' HD23 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -84.32 36.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -99.08 118.21 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.485 ' O ' HD21 ' A' ' 96' ' ' LEU . 13.6 t0 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.805 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.8 m170 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.785 0.326 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' HIS . 35.5 mm-40 -33.84 -48.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.414 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 10.2 tp -64.73 -48.78 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' A' ' 16' ' ' HIS . 78.5 mt -45.57 -47.48 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.734 HD13 HG12 ' A' ' 72' ' ' VAL . 13.4 mt -54.22 -47.01 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -59.79 -44.12 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 1.5 mptm? -49.02 -47.84 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 ' OE1' ' A' ' 86' ' ' GLN . 35.6 mt -55.7 -55.8 28.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 50' ' ' PHE . 96.7 mt -47.87 -46.18 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 4.8 mmm180 -41.67 -47.22 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.77 144.39 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 50.9 mm-40 -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.71 -16.59 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -125.45 15.22 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -72.42 -23.85 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 3.8 m-85 -136.47 161.41 35.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 t -46.07 162.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.56 5.83 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.27 -49.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.9 p -108.97 11.73 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 18.1 pt-20 36.58 39.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.66 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -62.06 156.41 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -88.4 108.37 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.29 60.32 0.96 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.81 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 13.1 tpp180 -58.63 -75.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.431 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 78.8 m95 -48.04 170.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.2 119.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -78.85 113.04 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 46.4 p-90 -74.96 -52.09 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.469 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -43.03 -36.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.521 HD13 ' CE1' ' A' ' 122' ' ' TYR . 97.9 mt -90.25 -46.49 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 41.43 2.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 m -150.35 157.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.696 ' CD2' HD21 ' A' ' 24' ' ' LEU . 90.1 m-85 -95.9 124.8 40.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 pt -128.84 155.71 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -73.04 -174.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.27 -32.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -64.98 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.7 m -45.13 -46.41 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.772 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -49.76 -53.51 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.83 -25.68 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.487 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.4 mp -90.01 -35.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.096 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -62.36 -34.29 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.62 -47.36 81.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.33 -48.3 74.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 66' ' ' ILE . 38.5 mt -33.35 -51.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 139.12 127.74 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -41.6 -39.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 26.6 p-80 -70.05 -34.1 72.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.839 HD13 ' HG3' ' A' ' 123' ' ' GLU . 74.2 mt -76.54 -54.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 46' ' ' ASN . 5.2 m -156.11 135.58 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -110.61 138.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.772 HG11 ' HB1' ' A' ' 56' ' ' ALA . 59.1 t -113.11 136.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -162.93 131.22 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.5 m -46.62 166.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.734 HG12 HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -92.96 -36.67 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . 0.468 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -110.01 -50.37 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 50.3 mt -50.52 -26.65 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -115.43 167.69 10.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.2 151.27 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 14.0 m95 -125.86 177.39 6.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 65.1 p -136.5 139.34 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.07 -44.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.48 -61.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 52.7 mt-30 -65.62 -41.96 92.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.1 mm -47.91 -59.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -47.02 -28.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.64 -45.09 76.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 93.6 mmm -52.59 -47.29 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.762 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.4 mp0 -70.03 -46.81 64.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -61.32 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -73.68 -72.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 164.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -60.14 -37.33 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.7 m -42.97 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -57.63 -47.37 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.26 -41.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -72.5 -42.99 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.82 -7.99 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.481 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.8 OUTLIER -110.16 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 85.3 m-85 -70.32 -49.56 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -85.03 34.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.15 -34.31 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -95.51 20.49 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.429 HD23 ' CD2' ' A' ' 127' ' ' TYR . 20.8 mt . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.928 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.407 ' O ' HG22 ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -75.04 -22.39 58.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 114' ' ' VAL . 41.3 p -83.94 125.79 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -47.93 63.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -50.68 -39.3 50.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -47.78 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 110' ' ' THR . 58.0 t -46.6 -62.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -41.95 -57.62 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' ARG . 15.8 m-85 -55.08 -56.46 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.585 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 36.0 t80 -34.18 -60.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.575 HG23 ' HD2' ' A' ' 122' ' ' TYR . 32.3 mt -60.72 -35.14 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' PHE . 26.0 mmm-85 -60.89 -21.22 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.1 m-20 -118.93 -7.03 10.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.585 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 13.4 ttpt -89.04 -31.92 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 50.5 m-85 -113.84 -52.29 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.839 ' HG3' HD13 ' A' ' 66' ' ' ILE . 6.7 tt0 -61.35 -63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 17.7 mmmt -71.45 -19.44 62.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 31.0 mmtp 56.14 29.6 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -51.54 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -82.81 37.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 47.9 t80 -99.09 121.85 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.2 t70 . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.934 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.514 ' CG ' HG13 ' A' ' 82' ' ' ILE . 5.5 m170 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.766 0.317 . . . . 0.0 110.857 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' HIS . 6.8 mp0 -34.23 -51.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -51.05 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 82.1 mt -50.69 -63.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 72' ' ' VAL . 34.8 mt -43.21 -38.71 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.6 m -72.49 -43.13 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -56.91 -37.04 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.84 -52.55 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.7 mt -52.22 -49.78 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -43.52 -37.81 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.67 136.44 57.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -51.65 -36.08 44.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.18 -24.81 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -121.91 32.87 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 37.9 mmtt -85.23 -29.45 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -130.12 172.24 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.2 t -61.04 167.02 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.88 -8.77 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -116.45 -53.17 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.9 p -107.22 9.7 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.489 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mt-10 35.99 43.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -63.96 163.41 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -89.18 112.98 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 62.78 1.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 80.18 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -58.85 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.666 ' NE1' HD13 ' A' ' 53' ' ' ILE . 55.5 m95 -44.57 167.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -162.52 135.47 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.11 95.73 9.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 22.0 p-90 -59.76 -50.41 73.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -35.98 -48.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.81 -48.76 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.84 36.54 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.7 m -139.72 152.89 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 96.2 m-85 -92.7 124.77 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 pt -128.96 161.98 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -79.57 174.87 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.666 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.9 tp -66.03 -41.43 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 58' ' ' ILE . 7.8 tmm_? -54.64 -56.76 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.513 ' HA ' HD13 ' A' ' 58' ' ' ILE . 88.4 m -61.11 -44.15 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.697 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.05 -49.86 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.88 -39.51 32.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 54' ' ' ARG . 5.2 mp -71.52 -43.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -49.22 -51.24 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -45.56 -50.46 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 58' ' ' ILE . 4.0 m-20 -51.51 -50.65 59.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 66' ' ' ILE . 30.8 mt -35.07 -52.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.92 134.12 3.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -47.23 -30.87 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.8 p-80 -72.3 -31.4 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 62' ' ' LEU . 27.5 mt -85.11 -53.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 p -152.19 140.33 20.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.53 115.18 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.697 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.2 t -89.94 138.89 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . 0.473 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 10.4 ptmm? -166.41 134.57 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 42.3 m -48.75 149.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 20' ' ' LEU . 16.5 t -74.18 -57.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.66 -60.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 62.6 mt -39.13 -43.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.1 156.08 19.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.43 142.1 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.4 m95 -127.74 157.69 39.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ALA . 70.5 p -123.37 144.64 49.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -35.37 -43.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -49.33 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' ' CD2' ' A' ' 45' ' ' TRP . 60.9 mt-30 -61.05 -47.69 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 16' ' ' HIS . 33.2 mm -43.35 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -47.76 -42.16 24.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 85' ' ' MET . 21.6 t -52.03 -59.71 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 84' ' ' CYS . 86.0 mmm -34.53 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 3.2 mp0 -65.64 -50.63 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.82 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 tpt -81.99 -70.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.19 171.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.97 -42.98 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.7 m -38.86 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -63.92 -45.32 89.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.465 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -42.13 -40.33 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.833 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 22.6 mt -64.09 -18.02 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.62 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 83.8 m-85 -69.94 -51.61 31.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.473 ' CD ' ' HZ1' ' A' ' 121' ' ' LYS . 5.1 mm-40 -84.62 35.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.833 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -100.12 -47.11 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -86.45 21.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.435 HD11 ' CD ' ' A' ' 98' ' ' GLU . 16.0 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 . . . . . 0 C--O 1.232 0.159 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 127.4 14.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -90.42 -40.35 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 114' ' ' VAL . 24.4 p -68.53 140.0 55.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' ALA . 2.9 m-20 -59.95 -63.53 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.474 ' NE2' ' HB ' ' A' ' 110' ' ' THR . 7.3 pm0 -37.24 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -85.57 -50.47 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.623 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 99.2 t -48.53 -57.01 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . 0.524 ' CG ' HG12 ' A' ' 58' ' ' ILE . 10.7 mt-10 -40.39 -49.08 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' PHE . 23.4 m-85 -68.45 -62.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.572 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 9.1 t80 -33.82 -47.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.62 -45.45 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . 0.601 ' HG3' HD21 ' A' ' 62' ' ' LEU . 41.0 mtt180 -58.38 -58.16 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.33 -19.01 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 117' ' ' PHE . 7.5 ttmt -80.92 -46.28 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.62 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 95.8 m-85 -100.67 -52.69 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 5.7 tt0 -54.28 -64.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -76.81 -19.99 56.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 62.93 34.23 14.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.85 -64.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -84.61 37.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -99.98 120.7 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 . . . . . 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 179.936 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.488 ' HA ' HD12 ' A' ' 19' ' ' ILE . 15.9 m-70 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.712 0.291 . . . . 0.0 110.837 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HA ' HD12 ' A' ' 20' ' ' LEU . 17.1 mp0 -30.63 -47.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -51.19 70.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 16' ' ' HIS . 19.0 mt -57.78 -50.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 17' ' ' GLN . 45.2 mt -46.31 -39.59 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -66.66 -47.65 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -36.88 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.591 HD11 HE21 ' A' ' 86' ' ' GLN . 43.5 mt -64.59 -50.08 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.95 -46.0 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -42.95 -39.36 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.2 135.72 55.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 10.2 tt0 -53.39 -31.34 44.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.96 -28.88 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -121.37 27.09 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 23.4 mmtt -80.32 -28.33 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 30' ' ' LYS . 1.8 m-85 -133.28 169.48 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' CYS . . . . . 0.464 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 20.2 t -54.15 166.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.25 -6.28 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.52 7.3 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 3.9 pt-20 38.77 46.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 161.65 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -89.23 103.07 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.23 68.4 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 82.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -61.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TRP . . . . . 0.609 ' NE1' HD13 ' A' ' 53' ' ' ILE . 54.6 m95 -67.72 166.86 14.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -163.9 141.07 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -101.24 102.66 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 52.9 p-90 -64.51 -53.75 43.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.503 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 7.2 t30 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ILE . . . . . 0.597 HD13 ' CE2' ' A' ' 122' ' ' TYR . 67.2 mt -88.06 -39.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 47.97 2.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . 0.49 HG11 ' CB ' ' A' ' 93' ' ' ALA . 24.1 m -155.96 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HZ ' HD12 ' A' ' 23' ' ' LEU . 88.8 m-85 -97.25 126.3 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.78 170.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.83 172.0 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.609 HD13 ' NE1' ' A' ' 42' ' ' TRP . 3.0 tp -63.98 -34.65 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -60.41 -63.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.4 m -55.6 -36.93 67.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . 0.731 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -50.99 -50.67 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.02 -41.34 14.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -69.38 -42.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 111.129 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' A' ' 69' ' ' VAL . 19.4 m-70 -52.33 -52.26 54.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtm105 -47.49 -46.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 74.0 m-20 -56.82 -50.59 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 41.4 mt -34.94 -57.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.48 134.0 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.2 -34.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' HIS . . . . . 0.56 ' CD2' HG13 ' A' ' 66' ' ' ILE . 27.1 p-80 -68.75 -39.19 80.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 65' ' ' HIS . 18.0 mt -74.81 -41.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.472 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 30.3 t -169.17 140.01 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -112.89 104.11 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.731 HG11 ' HB1' ' A' ' 56' ' ' ALA . 60.9 t -75.78 140.04 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.73 148.2 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.49 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 26.8 m -59.57 159.19 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 43' ' ' ALA . 38.8 t -87.17 -43.62 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -96.74 -57.72 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 98.4 mt -42.91 -62.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.84 160.35 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -96.09 140.88 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' TRP . . . . . 0.562 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 12.3 m95 -122.41 154.89 37.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.0 p -120.03 161.44 20.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.17 -43.2 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.67 -50.36 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.5 mp0 -68.41 -50.01 55.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.7 mm -52.0 -51.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -50.65 -46.32 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.05 -52.15 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.8 mmm -43.98 -47.39 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLN . . . . . 0.591 HE21 HD11 ' A' ' 23' ' ' LEU . 13.9 mp0 -71.27 -50.45 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.23 -59.11 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.5 tpt -81.24 -72.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.2 174.79 3.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.45 -43.46 77.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -40.42 -66.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 95' ' ' LEU . 36.3 mttm -62.37 -49.25 76.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ALA . . . . . 0.49 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -37.32 -40.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -73.52 -40.65 63.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 41.1 mt -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.467 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.28 -62.8 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 79.0 m-85 -68.69 -51.64 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.895 ' HB3' HD12 ' A' ' 101' ' ' LEU . 22.7 mt-10 -91.08 38.66 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 129' ' ' ASP . . . -89.54 -40.21 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.96 19.51 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.895 HD12 ' HB3' ' A' ' 98' ' ' GLU . 19.7 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.937 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.62 33.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -38.09 10.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' ASP . 80.5 p -76.33 121.67 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.9 OUTLIER -34.26 -53.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.8 mt-30 -35.51 -67.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.57 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 93.6 t -43.38 -53.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -49.15 -52.6 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -62.03 -45.45 93.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' PHE . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 23.5 t80 -46.53 -56.35 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 122' ' ' TYR . 19.4 mt -69.36 -36.01 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -71.53 -8.95 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' ASP . . . . . 0.409 ' HB3' ' HD3' ' A' ' 126' ' ' LYS . 11.9 m-20 -119.91 -16.54 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' LYS . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 17.6 ttpp -92.93 -39.19 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' TYR . . . . . 0.597 ' CE2' HD13 ' A' ' 47' ' ' ILE . 70.3 m-85 -98.89 -56.03 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' GLU . . . . . 0.481 ' HG2' HD13 ' A' ' 66' ' ' ILE . 2.8 tm-20 -59.58 -68.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -64.54 -27.69 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.1 mmtp 63.85 35.43 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 120' ' ' ASP . 1.8 mtpm? -60.03 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' TYR . . . . . 0.568 ' CD2' HD23 ' A' ' 101' ' ' LEU . 9.6 m-85 -70.66 -17.21 62.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' TYR . . . . . 0.525 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 67.0 t80 -51.78 121.09 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 16.4 t70 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.543 -0.223 . . . . 0.0 112.543 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 33.3 p -91.66 93.79 9.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 0.0 110.797 -179.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.9 m -54.78 -46.99 74.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.856 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 87.66 -117.58 4.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.7 m 49.72 42.44 23.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.86 0.362 . . . . 0.0 110.855 -179.741 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 42.4 m -137.36 108.7 6.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 158.39 71.95 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.492 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.403 ' O ' ' C ' ' A' ' 9' ' ' ALA . 49.3 tttp -108.55 43.4 1.24 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.741 0.305 . . . . 0.0 110.874 -179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.447 ' O ' ' N ' ' A' ' 12' ' ' LEU . . . -37.88 -43.97 0.73 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.056 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 9' ' ' ALA . 11.6 tt0 -34.41 -57.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.96 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 tmtt? -61.61 -40.17 93.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.447 ' N ' ' O ' ' A' ' 9' ' ' ALA . 2.5 mm? -80.96 43.25 0.69 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 16.1 p30 -72.26 149.86 44.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 7.2 mm-40 51.77 39.97 26.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.912 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.471 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 4.5 tp-100 -122.06 94.7 4.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.699 ' HA ' HD12 ' A' ' 19' ' ' ILE . 24.7 m170 -69.26 -60.47 2.32 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.472 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.0 mm-40 -31.7 -42.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.939 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 0.4 OUTLIER -71.72 -54.92 8.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.972 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.699 HD12 ' HA ' ' A' ' 16' ' ' HIS . 57.2 mt -41.59 -49.71 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.416 HD13 HG12 ' A' ' 72' ' ' VAL . 20.3 mt -48.87 -43.21 38.65 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.935 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.6 t -65.7 -46.07 80.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.851 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 17.7 mttm -49.58 -38.02 29.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.836 HD11 HE21 ' A' ' 86' ' ' GLN . 27.0 mt -66.95 -58.9 4.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.569 HD21 ' CD1' ' A' ' 50' ' ' PHE . 71.2 mt -47.29 -40.92 17.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 50.6 mtt180 -51.36 -42.74 61.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.888 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -56.76 138.59 52.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -54.09 -27.7 34.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.918 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -66.3 -32.12 73.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.905 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.4 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -117.53 31.9 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.927 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.495 ' C ' ' CD1' ' A' ' 31' ' ' TYR . 24.0 mttp -90.15 -15.07 32.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.898 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.495 ' CD1' ' C ' ' A' ' 30' ' ' LYS . 2.8 m-85 -138.77 154.79 48.54 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 16.8 t -46.03 159.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.891 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.46 7.71 43.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.093 179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.97 -68.19 0.64 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.85 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 20.9 p -86.85 -0.56 56.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.897 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.499 ' HB2' ' CD ' ' A' ' 107' ' ' ARG . 2.5 tp10 47.87 42.44 16.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -63.04 -179.16 0.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.091 179.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . 0.403 ' HG2' ' CE2' ' A' ' 31' ' ' TYR . 39.7 mtmt -110.55 102.48 11.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.88 59.46 0.9 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.5 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 86.83 0.57 Allowed 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.662 2.241 . . . . 0.0 112.381 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.673 ' O ' HG21 ' A' ' 72' ' ' VAL . 11.8 tpp85 -62.71 -75.67 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.439 ' HE1' HD12 ' A' ' 53' ' ' ILE . 64.4 m95 -47.35 163.0 0.05 OUTLIER 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -157.59 136.4 11.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.104 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -97.05 104.78 16.83 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.842 -179.746 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.571 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 45.6 p-90 -69.19 -48.54 61.83 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.921 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.451 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 2.6 t30 -38.99 -37.07 0.33 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.869 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 66.1 mt -99.45 -43.36 11.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.124 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.9 44.78 1.86 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.453 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.9 m -148.37 153.46 11.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.863 0.363 . . . . 0.0 111.126 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.569 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.1 m-85 -95.55 126.07 40.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 12.1 pt -126.35 159.63 35.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.088 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.6 p -75.77 -175.81 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.895 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.561 HG23 ' N ' ' A' ' 54' ' ' ARG . 6.0 tt -72.98 -48.0 46.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.117 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.561 ' N ' HG23 ' A' ' 53' ' ' ILE . 6.7 tmm_? -51.53 -58.09 7.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.872 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.776 ' HA ' HD12 ' A' ' 58' ' ' ILE . 91.5 m -58.34 -48.24 81.2 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -38.2 -46.04 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.054 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.64 -43.36 79.09 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.547 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.776 HD12 ' HA ' ' A' ' 55' ' ' CYS . 10.2 mt -61.44 -47.03 95.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.892 0.377 . . . . 0.0 111.131 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -49.24 -49.08 44.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.423 ' NH1' ' HB ' ' A' ' 69' ' ' VAL . 27.4 mtp85 -51.07 -43.44 61.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.833 -179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.9 m-20 -55.24 -46.64 76.02 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . . . . . . . . . 21.5 mt -42.82 -51.75 5.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.08 148.9 6.03 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.535 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 17.5 m -62.99 -8.74 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.859 0.362 . . . . 0.0 111.147 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 16.2 p-80 -94.51 -26.47 16.42 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.865 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.464 HD13 ' HG3' ' A' ' 123' ' ' GLU . 15.7 mt -92.39 -48.58 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.099 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.7 p -156.02 128.9 7.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.858 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 30.1 mtt180 -102.16 120.27 40.18 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.423 ' HB ' ' NH1' ' A' ' 60' ' ' ARG . 60.2 t -96.13 134.36 33.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.096 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 5.9 ptpt -158.12 152.89 25.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.5 m -65.42 145.87 55.6 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.842 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.673 HG21 ' O ' ' A' ' 41' ' ' ARG . 2.7 t -69.27 -41.11 80.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.14 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.414 ' O ' ' N ' ' A' ' 75' ' ' ASP . 35.0 t30 -116.15 -55.4 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.635 HD12 ' H ' ' A' ' 74' ' ' LEU . 4.0 mp -43.73 -22.09 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.414 ' N ' ' O ' ' A' ' 73' ' ' ASN . 28.7 t0 -112.81 165.39 12.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 16.3 mp0 -92.62 152.06 19.78 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.427 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 15.6 m95 -132.45 173.88 10.84 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.931 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.5 p -139.41 148.72 43.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.168 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.54 -48.27 5.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 8.3 tp10 -49.01 -47.37 44.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.571 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 29.3 mt-30 -74.11 -37.05 64.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.911 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.502 HG13 ' CG ' ' A' ' 16' ' ' HIS . 22.9 mm -55.95 -61.34 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.097 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -45.7 -38.33 6.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.905 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 61.0 m -60.14 -50.7 72.64 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 88.7 mmm -43.73 -45.3 7.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.842 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.836 HE21 HD11 ' A' ' 23' ' ' LEU . 24.5 mp0 -77.92 -52.51 8.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -44.16 -46.13 8.63 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -96.81 -71.75 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.0 179.19 0.87 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.503 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -68.65 -37.2 79.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.918 0.39 . . . . 0.0 110.868 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 99.3 m -43.26 -71.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.173 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 12.3 mptt -59.2 -45.52 90.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.908 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.4 -41.63 2.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.119 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 23.5 ttt180 -71.83 -45.12 62.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.899 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 13.9 mt -70.21 -5.62 28.73 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.492 HD21 ' HB3' ' A' ' 132' ' ' ALA . 1.1 tm? -111.16 -68.54 0.92 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.932 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.728 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 86.9 m-85 -68.96 -48.6 62.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.936 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.448 ' HG2' HD11 ' A' ' 101' ' ' LEU . 51.4 mt-10 -84.53 33.72 0.52 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.97 -35.81 9.25 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.074 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.3 m-20 -95.68 21.52 8.29 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.561 HD13 ' CD2' ' A' ' 105' ' ' PHE . 25.0 mt -79.77 155.45 75.63 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.591 0.71 . . . . 0.0 110.946 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 152.16 69.3 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.685 2.257 . . . . 0.0 112.346 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -53.82 -38.85 65.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 3.0 p30 -102.44 39.64 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.929 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.561 ' CD2' HD13 ' A' ' 101' ' ' LEU . 22.7 t80 -63.34 147.54 50.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.9 tpp85 -150.28 119.4 6.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.499 ' CD ' ' HB2' ' A' ' 36' ' ' GLU . 42.6 mtt-85 -57.49 135.51 82.01 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.592 0.711 . . . . 0.0 110.845 -179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 140.46 42.67 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.703 2.269 . . . . 0.0 112.332 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 2.1 tp60 -98.83 -38.38 9.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.933 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.584 ' O ' HG23 ' A' ' 114' ' ' VAL . 49.4 p -83.66 137.68 33.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.188 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 112' ' ' GLN . 5.0 p-10 -55.97 -52.19 65.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.834 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.439 ' C ' ' O ' ' A' ' 111' ' ' ASP . 3.5 pt20 -34.73 -35.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.892 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -91.9 -53.98 4.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.069 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.584 HG23 ' O ' ' A' ' 110' ' ' THR . 60.1 t -39.87 -58.97 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.109 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.437 ' CG ' HG12 ' A' ' 58' ' ' ILE . 6.9 mt-10 -40.16 -53.57 2.45 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.86 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.415 ' O ' ' C ' ' A' ' 117' ' ' PHE . 17.2 m-85 -66.8 -59.66 3.35 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.871 -179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.42 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.4 t80 -36.36 -58.92 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.425 HD12 HD13 ' A' ' 58' ' ' ILE . 97.9 mt -58.05 -44.8 87.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.119 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.493 ' O ' ' N ' ' A' ' 123' ' ' GLU . 27.0 mtp85 -58.94 -64.05 1.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.901 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.405 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 31.4 m-20 -61.52 -20.59 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.894 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.42 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 49.0 tttp -78.1 -44.34 26.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.728 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 71.7 m-85 -104.71 -56.89 2.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 119' ' ' ARG . 14.5 tt0 -50.35 -55.84 13.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.898 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.405 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 14.0 mmtp -82.39 -16.62 48.44 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.872 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 33.5 mmtm 59.45 29.61 19.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.918 179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.9 mtpp -49.72 -68.88 0.14 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.403 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -84.74 38.66 0.71 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.862 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 58.8 t80 -99.39 120.39 39.51 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 -179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -92.76 103.91 16.23 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -76.13 -38.88 56.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.881 -179.984 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.424 ' C ' ' O ' ' A' ' 130' ' ' LYS . 47.7 m-80 -36.26 -44.65 0.42 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.956 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.492 ' HB3' HD21 ' A' ' 96' ' ' LEU . . . -46.73 -57.98 4.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.095 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.678 HG22 ' O ' ' A' ' 133' ' ' ILE . 5.3 mp -88.39 61.29 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.129 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -95.8 20.34 10.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.065 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.799 HD12 ' O ' ' A' ' 135' ' ' ILE . 2.7 pp -107.52 31.44 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.124 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 29.3 t -75.72 116.05 16.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -162.78 90.23 0.11 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.518 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 112.18 3.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.703 2.269 . . . . 0.0 112.357 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 5.6 m -121.74 167.63 12.74 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.851 -179.856 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 87.6 p -49.48 139.07 12.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.274 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.488 -179.97 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.8 p -80.34 175.0 11.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.883 0.373 . . . . 0.0 110.885 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -94.68 42.14 1.09 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.87 -94.91 0.56 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.461 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.2 p -174.51 172.28 3.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.88 0.371 . . . . 0.0 110.827 -179.687 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -115.54 112.77 22.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -124.2 177.16 16.82 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.505 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.3 pttp -90.91 138.12 31.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 0.0 110.854 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.449 ' O ' ' C ' ' A' ' 10' ' ' GLN . . . -90.53 -46.7 8.15 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.106 179.807 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 9' ' ' ALA . 36.4 tp60 -34.29 -47.48 0.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 28.9 tptt -68.33 -47.01 68.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.415 ' N ' ' O ' ' A' ' 9' ' ' ALA . 5.0 mp -80.22 45.77 0.77 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 62.0 m-20 -107.69 101.6 10.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.7 mt-10 -87.75 -50.93 6.16 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.6 pt20 -142.36 147.72 36.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.907 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.786 ' HA ' HD12 ' A' ' 19' ' ' ILE . 20.9 m170 -42.45 -52.19 4.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.814 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 38.8 mm-40 -48.22 -64.47 0.79 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.2 tp -45.27 -51.31 11.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.922 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.786 HD12 ' HA ' ' A' ' 16' ' ' HIS . 64.0 mt -44.78 -64.25 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.133 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.492 HD13 HG12 ' A' ' 72' ' ' VAL . 31.0 mt -39.61 -45.64 1.67 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.925 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 72.4 m -66.86 -38.19 85.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.43 ' N ' ' O ' ' A' ' 19' ' ' ILE . 11.7 mttm -65.33 -40.47 93.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.904 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.423 HD11 HE21 ' A' ' 86' ' ' GLN . 21.5 mt -59.73 -44.56 93.7 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.896 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.476 HD21 ' CD1' ' A' ' 50' ' ' PHE . 69.8 mt -59.01 -52.8 64.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 30.1 mtp180 -40.08 -35.43 0.38 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.879 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -64.05 126.69 28.5 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.897 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 54.0 mt-10 -44.32 -24.56 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -66.54 -41.17 89.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.484 ' HB3' ' CD2' ' A' ' 50' ' ' PHE . 31.8 m-20 -113.79 30.4 7.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.902 -179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 5.6 mtpm? -83.82 -26.24 29.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 6.5 m-85 -129.34 166.98 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.91 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.404 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 16.1 t -58.15 158.46 6.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.876 -179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -92.73 8.42 39.38 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 -134.12 -59.13 0.84 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.584 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 20.6 p -99.1 6.06 46.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.904 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.404 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mm-40 42.3 35.03 0.56 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.952 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.584 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -53.87 168.21 0.22 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.11 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 14.4 mttp -96.89 105.82 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 91.42 67.64 1.16 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 81.5 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.683 2.255 . . . . 0.0 112.363 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.421 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.66 -70.57 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 -179.949 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.538 ' HE1' HD12 ' A' ' 53' ' ' ILE . 71.5 m95 -55.07 173.01 0.1 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.939 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.496 ' HB2' ' HD1' ' A' ' 50' ' ' PHE . . . -167.7 138.27 2.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.098 179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.8 m -96.51 107.9 20.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.889 -179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.574 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 51.6 p-90 -72.28 -45.82 58.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.924 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.418 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.9 t30 -46.64 -40.26 12.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.899 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -89.05 -49.14 14.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.137 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.16 38.82 2.07 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.684 -0.77 . . . . 0.0 112.486 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.473 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 31.5 m -143.04 162.44 17.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.908 0.385 . . . . 0.0 111.12 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.496 ' HD1' ' HB2' ' A' ' 43' ' ' ALA . 84.9 m-85 -103.48 118.34 36.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.846 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.7 pt -122.06 161.81 22.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.11 -0.495 . . . . 0.0 111.107 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.7 p -77.56 178.26 7.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.538 HD12 ' HE1' ' A' ' 42' ' ' TRP . 16.5 tt -69.41 -35.82 68.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.1 tmm_? -59.76 -58.72 7.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.84 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 76.9 m -55.78 -48.55 75.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.864 -179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.76 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -43.57 -50.24 7.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.148 179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.2 -42.02 16.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.418 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.0 mp -71.59 -37.62 64.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.794 0.33 . . . . 0.0 111.075 -179.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.6 m-70 -56.51 -50.21 72.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 25.0 mtm180 -48.79 -43.7 38.33 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.876 -179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.7 m-80 -56.39 -51.86 66.77 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.435 ' C ' ' O ' ' A' ' 61' ' ' ASN . 19.4 mt -35.34 -57.65 0.59 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 136.61 3.5 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.493 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.423 HG23 ' N ' ' A' ' 65' ' ' HIS . 28.2 m -47.1 -41.02 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.902 0.382 . . . . 0.0 111.153 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 48.0 p-80 -62.77 -30.85 71.76 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.525 HG13 ' CD2' ' A' ' 65' ' ' HIS . 16.6 mt -86.25 -62.76 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.124 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.4 m -151.75 128.84 11.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.883 -179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtp180 -99.6 153.99 18.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HB1' ' A' ' 56' ' ' ALA . 63.2 t -127.11 131.58 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.152 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.46 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 13.4 ptmm? -156.56 138.8 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.477 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 52.0 m -53.65 145.13 16.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.843 -179.851 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.492 HG12 HD13 ' A' ' 20' ' ' LEU . 4.2 t -71.44 -58.81 4.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.12 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -85.21 -63.7 1.28 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.888 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.477 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 27.4 mt -37.65 -54.0 1.2 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -78.7 158.74 28.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.845 179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 66.4 mt-30 -93.62 141.08 28.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.934 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.574 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.5 m95 -123.84 163.65 20.81 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.899 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 67.1 p -133.78 169.12 17.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.146 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.73 -41.48 23.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.065 179.876 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -52.7 -52.22 56.96 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.898 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.475 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 7.3 mp0 -71.62 -49.32 41.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.42 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 42.9 mm -50.23 -58.91 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.141 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.4 tp60 -46.69 -46.73 20.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.1 m -58.06 -47.82 81.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.7 mmm -47.83 -52.95 17.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.867 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.423 HE21 HD11 ' A' ' 23' ' ' LEU . 2.8 mp0 -67.71 -48.51 66.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.896 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.9 -63.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.27 -73.09 0.29 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.57 172.79 1.71 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.483 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -64.67 -44.59 89.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.489 ' N ' HH21 ' A' ' 94' ' ' ARG . 25.3 m -38.53 -68.2 0.17 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.139 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 9.7 mtpm? -59.58 -49.82 76.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.894 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.473 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.42 -38.69 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.121 179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.489 HH21 ' N ' ' A' ' 91' ' ' THR . 59.4 mtm180 -74.56 -45.55 44.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.856 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 36.7 mt -66.24 -8.32 23.87 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.905 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.477 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 1.2 tm? -108.36 -68.25 0.92 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.656 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 96.4 m-85 -69.77 -49.23 54.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -83.7 34.91 0.5 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.86 -30.6 10.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.059 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.8 m-20 -99.86 22.14 11.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.732 HD22 ' CD2' ' A' ' 105' ' ' PHE . 55.6 mt -74.84 148.52 84.96 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.618 0.723 . . . . 0.0 110.937 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 144.9 55.34 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.335 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -51.99 -26.63 11.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.909 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 8.9 p30 -114.24 41.17 2.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.732 ' CD2' HD22 ' A' ' 101' ' ' LEU . 5.3 t80 -64.25 142.07 58.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 -179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 13.7 tpp85 -126.41 110.82 13.75 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.857 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 42.1 ttp85 -63.1 121.83 71.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 110.845 -179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 136.7 33.66 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.699 2.266 . . . . 0.0 112.308 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.2 tp60 -102.24 -38.49 7.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.543 ' O ' HG23 ' A' ' 114' ' ' VAL . 35.7 p -82.19 144.68 30.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.185 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -58.04 -45.54 86.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.871 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -39.41 -40.38 0.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.959 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -89.1 -55.07 3.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.115 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.543 HG23 ' O ' ' A' ' 110' ' ' THR . 94.5 t -39.85 -65.73 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.153 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.488 ' OE1' ' N ' ' A' ' 116' ' ' PHE . 1.0 OUTLIER -34.41 -53.59 0.51 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.488 ' N ' ' OE1' ' A' ' 115' ' ' GLU . 9.1 m-85 -62.62 -55.36 27.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.494 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 39.8 t80 -40.31 -48.96 2.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 52.5 mt -74.04 -34.13 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.183 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 29.8 mtp85 -71.3 -10.61 60.05 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.9 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -123.89 -19.21 5.76 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.904 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.524 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 28.0 tttt -83.93 -29.13 27.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.933 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.656 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 34.6 m-85 -114.07 -59.79 1.97 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.944 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -52.76 -59.01 5.02 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 12.9 mmmt -75.53 -18.12 59.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.862 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.58 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 38.0 mmtm 59.07 29.03 18.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.869 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 26.0 mtpt -48.05 -67.36 0.28 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -84.39 38.58 0.68 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.917 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.58 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 41.0 t80 -94.77 123.45 38.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.937 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 47.9 t0 -92.55 99.03 11.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 10.5 mmtp -72.51 -35.25 68.07 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 7.6 m120 -48.88 -42.8 37.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.429 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -67.4 -21.06 65.6 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.087 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.625 HG22 ' O ' ' A' ' 133' ' ' ILE . 27.0 mm -75.75 58.44 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.172 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -116.48 135.56 53.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.49 HD12 ' O ' ' A' ' 135' ' ' ILE . 2.7 pp -88.16 146.39 6.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.15 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.3 t -65.65 -63.11 1.17 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.912 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 68.36 111.66 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.86 -2.53 10.4 Favored 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.688 2.259 . . . . 0.0 112.3 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 66.6 m -51.44 115.8 1.77 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 9.8 t -78.55 140.16 38.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.866 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.171 -0.794 . . . . 0.0 112.492 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -170.8 147.39 2.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.0 t -118.29 132.65 56.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.862 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 121.62 74.92 0.36 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.47 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 7' ' ' GLY . 8.5 t -126.15 148.47 49.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.867 0.365 . . . . 0.0 110.863 -179.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -47.98 92.79 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.876 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.43 ' N ' ' O ' ' A' ' 5' ' ' SER . . . -144.78 -52.9 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.46 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 5.2 ttpm? 43.5 40.73 2.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.794 0.33 . . . . 0.0 110.912 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -107.01 38.33 2.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.134 179.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.412 ' HA ' ' ND2' ' A' ' 13' ' ' ASN . 2.5 mp0 -59.39 -62.92 1.52 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.901 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.6 mmmp? -51.26 -38.13 50.96 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.5 tp -80.67 48.04 1.02 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.948 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.412 ' ND2' ' HA ' ' A' ' 10' ' ' GLN . 66.5 m-20 -115.14 37.75 3.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -80.34 44.15 0.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 tp-100 -133.38 106.92 7.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.92 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.768 ' HA ' HD12 ' A' ' 19' ' ' ILE . 2.9 m-70 -66.91 -58.34 5.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.823 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.452 ' C ' ' O ' ' A' ' 16' ' ' HIS . 4.8 mm-40 -33.38 -51.09 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.919 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 59.8 tp -60.7 -54.75 41.55 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.768 HD12 ' HA ' ' A' ' 16' ' ' HIS . 55.3 mt -43.33 -59.96 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.983 HD13 HG12 ' A' ' 72' ' ' VAL . 10.5 mt -46.23 -47.33 17.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 14.9 t -62.1 -40.24 95.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.838 -179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 72.4 mttt -60.48 -35.48 76.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.449 HD11 ' HG3' ' A' ' 86' ' ' GLN . 20.3 mt -68.21 -46.2 71.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.721 HD21 ' CD1' ' A' ' 50' ' ' PHE . 61.1 mt -55.37 -40.32 71.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.896 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 43.1 mtp180 -49.38 -33.29 13.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 70.3 mm-40 -63.81 130.91 46.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.876 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -48.4 -25.1 1.47 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -72.41 -33.9 67.48 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.841 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.422 ' CG ' ' OD1' ' A' ' 90' ' ' ASN . 1.3 m-20 -115.04 26.38 10.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 19.3 mtpt -86.33 -26.55 24.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.854 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 14.6 m-85 -130.46 154.6 47.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.949 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.3 t -41.88 161.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.937 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.34 6.08 48.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.072 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 23.6 m-20 -131.47 -54.36 1.02 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.668 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.1 p -102.96 8.05 39.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.445 ' HG3' ' CZ ' ' A' ' 107' ' ' ARG . 14.5 mm-40 42.08 33.44 0.38 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.914 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.668 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -54.38 165.35 0.56 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.094 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.1 tmtm? -97.18 108.9 21.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 93.13 59.97 1.21 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 81.57 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.632 2.221 . . . . 0.0 112.373 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 -58.36 -76.74 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.856 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.58 ' NE1' HD13 ' A' ' 53' ' ' ILE . 60.2 m95 -46.83 168.33 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.507 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -165.91 125.91 1.72 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.071 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.71 104.59 14.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.748 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.586 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 41.9 p-90 -66.3 -53.43 36.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.943 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.49 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 16.8 t30 -33.89 -41.99 0.11 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.869 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 58.2 mt -95.46 -40.81 11.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 97.9 43.51 2.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.471 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.443 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 27.2 m -142.65 146.73 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.859 0.361 . . . . 0.0 111.134 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.721 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -89.97 118.29 29.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.8 pt -125.14 154.16 33.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.121 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -71.71 -179.96 2.85 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.904 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.58 HD13 ' NE1' ' A' ' 42' ' ' TRP . 6.7 tp -68.65 -48.08 73.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.123 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.534 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.5 tmm_? -50.28 -60.19 3.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.868 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 43.0 m -52.85 -48.29 67.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.859 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.961 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.06 -53.82 15.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.43 -37.99 3.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.468 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.49 HG21 ' HA ' ' A' ' 115' ' ' GLU . 3.9 mp -77.36 -37.26 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.833 0.349 . . . . 0.0 111.092 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.472 ' CD2' HG21 ' A' ' 118' ' ' ILE . 4.3 m-70 -58.08 -45.11 87.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.876 179.874 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.2 mtp180 -50.54 -48.14 57.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.434 ' O ' ' C ' ' A' ' 62' ' ' LEU . 87.5 m-20 -49.1 -49.86 39.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.906 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.612 ' O ' HD12 ' A' ' 66' ' ' ILE . 23.2 mt -34.38 -53.44 0.51 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.95 142.73 5.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.482 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.32 -31.63 27.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.863 0.363 . . . . 0.0 111.139 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.58 ' CD2' HG13 ' A' ' 66' ' ' ILE . 39.4 p-80 -67.79 -30.66 70.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.612 HD12 ' O ' ' A' ' 62' ' ' LEU . 26.1 mt -87.27 -53.98 8.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.474 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 18.8 t -157.0 152.33 26.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 39.6 mtt85 -119.52 125.63 49.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.849 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.961 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.6 t -99.75 137.16 28.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.144 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -164.57 155.78 15.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.908 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.1 t -65.67 175.58 1.82 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.983 HG12 HD13 ' A' ' 20' ' ' LEU . 2.1 t -104.34 -39.54 5.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.172 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -101.04 -52.17 3.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 80.0 mt -50.28 -46.44 55.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.888 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -91.15 150.86 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.855 179.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 46.5 tt0 -90.96 142.62 27.58 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.924 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.586 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.8 m95 -118.6 177.78 4.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.958 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 41.4 p -137.04 149.9 47.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.092 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.5 -46.98 2.58 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.095 179.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.0 mm-40 -45.56 -60.2 2.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.542 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 74.5 mt-30 -67.44 -44.26 79.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.905 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.499 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 39.8 mm -49.25 -64.31 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.113 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 27.3 tp60 -39.15 -42.63 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 80.3 m -64.26 -51.89 61.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 73.3 mmm -40.35 -54.52 2.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.499 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 8.4 mp0 -63.92 -53.43 50.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.917 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . 0.412 ' O ' ' HE3' ' A' ' 92' ' ' LYS . 0.5 OUTLIER -51.27 -65.54 0.54 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.826 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.1 tpt -63.08 -73.79 0.11 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 54.08 -174.47 0.52 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.422 ' OD1' ' CG ' ' A' ' 29' ' ' ASN . 5.5 m120 -69.16 -32.89 72.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.94 0.4 . . . . 0.0 110.873 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.4 m -49.65 -72.0 0.06 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.095 -179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' HE3' ' O ' ' A' ' 87' ' ' ASP . 21.4 mtmt -59.29 -41.31 88.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.443 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -49.61 -38.87 33.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.113 179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 21.1 mtp180 -75.71 -42.75 50.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.875 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 30.4 mt -70.58 -4.17 21.81 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.917 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.442 HD22 ' HB3' ' A' ' 132' ' ' ALA . 0.7 OUTLIER -114.27 -61.54 1.73 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.943 179.849 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.428 ' CE1' ' CE2' ' A' ' 122' ' ' TYR . 90.4 m-85 -76.45 -49.4 16.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -84.85 35.55 0.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.876 -179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.45 -40.08 7.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.115 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 27.3 m-80 -87.29 13.59 9.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.641 HD22 ' CD1' ' A' ' 105' ' ' PHE . 21.2 mt -79.94 146.83 64.66 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.594 0.711 . . . . 0.0 110.949 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 137.43 35.37 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.634 2.223 . . . . 0.0 112.367 179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -44.05 -40.0 4.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.929 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -96.51 35.78 1.45 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.92 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.641 ' CD1' HD22 ' A' ' 101' ' ' LEU . 13.0 t80 -64.58 145.56 55.96 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.529 ' H ' ' NE ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER -129.62 144.92 51.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.879 -179.924 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.445 ' CZ ' ' HG3' ' A' ' 36' ' ' GLU . 12.0 mtt85 -86.28 130.51 49.44 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.634 0.73 . . . . 0.0 110.877 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.45 ' O ' HG22 ' A' ' 114' ' ' VAL . 53.6 Cg_endo -69.76 103.51 1.17 Allowed 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.726 2.284 . . . . 0.0 112.321 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.472 ' NE2' ' HA ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -72.01 -23.33 61.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.957 179.979 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.676 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.5 p -87.18 130.11 34.68 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.144 -179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -52.92 -53.5 48.58 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.865 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -40.01 -48.3 2.4 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.888 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -73.14 -49.2 29.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.119 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.676 HG23 ' O ' ' A' ' 110' ' ' THR . 86.9 t -43.25 -59.24 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.168 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.49 ' HA ' HG21 ' A' ' 58' ' ' ILE . 20.3 tt0 -42.46 -54.7 3.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.434 ' O ' ' N ' ' A' ' 119' ' ' ARG . 8.6 m-85 -62.0 -59.25 5.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.856 -179.867 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.501 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 32.0 t80 -35.97 -57.18 0.7 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.472 HG21 ' CD2' ' A' ' 59' ' ' HIS . 80.3 mt -58.5 -39.5 75.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 111.095 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.452 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 19.1 mtp180 -63.89 -57.34 10.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.858 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 -68.0 -19.52 64.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.501 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 75.4 tttt -80.72 -43.54 20.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.878 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.428 ' CE2' ' CE1' ' A' ' 97' ' ' TYR . 58.8 m-85 -103.95 -61.22 1.46 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.899 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.522 ' HG3' HD13 ' A' ' 66' ' ' ILE . 9.1 tt0 -46.44 -60.72 2.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.88 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.5 mtpp -75.62 -20.3 58.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.535 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.0 mmtp 62.43 26.12 15.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.919 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 31.8 mtpt -47.08 -69.26 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.907 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.2 m-85 -82.23 38.24 0.53 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.923 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.535 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 66.5 t80 -99.91 118.52 36.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.933 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.7 t70 -91.21 106.57 18.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.843 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 2.8 ptmm? -80.42 -36.68 33.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.879 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 35.4 m120 -52.13 -39.76 60.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.442 ' HB3' HD22 ' A' ' 96' ' ' LEU . . . -62.39 -19.14 63.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.113 179.879 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.535 HG22 ' O ' ' A' ' 133' ' ' ILE . 32.7 mm -82.15 60.28 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.124 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -77.92 170.77 16.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.073 179.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.2 mp -123.76 134.71 65.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.131 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.5 m -127.36 132.44 50.19 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.861 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -120.0 137.5 12.38 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.456 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 167.13 25.3 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.718 2.278 . . . . 0.0 112.327 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 63.3 m -108.65 164.29 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 30.9 t -133.1 164.85 26.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.831 -179.79 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.112 -0.826 . . . . 0.0 112.497 -179.961 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.499 -0.241 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -98.48 159.62 14.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.837 0.351 . . . . 0.0 110.876 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.8 m -105.66 122.75 46.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.853 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.19 109.97 0.24 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.444 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.4 m -128.44 110.08 11.99 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.901 0.381 . . . . 0.0 110.834 -179.758 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 76.6 p -138.64 176.34 8.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.853 -179.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 80.93 69.37 1.4 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.476 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 37.5 mttp -81.33 41.84 0.63 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.822 0.344 . . . . 0.0 110.901 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -103.47 41.59 1.26 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 40.2 mt-30 -88.21 -61.73 1.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.921 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 12.5 tptp -44.16 -55.82 4.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.911 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 tp -44.47 -55.32 5.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.92 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.492 ' O ' HD11 ' A' ' 19' ' ' ILE . 2.2 m-20 -61.77 101.31 0.19 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -89.95 46.94 1.4 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.436 ' O ' HD12 ' A' ' 19' ' ' ILE . 3.4 mp0 -113.2 88.47 2.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 15.9 m170 -48.76 -51.7 27.62 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.534 ' HA ' HD12 ' A' ' 20' ' ' LEU . 9.7 mm-40 -60.68 -62.99 1.45 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.1 tp -45.28 -56.58 4.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.931 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.492 HD11 ' O ' ' A' ' 13' ' ' ASN . 20.3 mt -47.58 -53.93 3.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.13 179.84 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.534 HD12 ' HA ' ' A' ' 17' ' ' GLN . 33.7 mt -44.26 -44.3 7.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.929 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 5.8 m -65.24 -39.02 92.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.24 -36.67 82.72 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.901 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.8 HD11 HE21 ' A' ' 86' ' ' GLN . 30.3 mt -65.63 -45.29 83.64 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.91 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.709 HD21 ' CD2' ' A' ' 50' ' ' PHE . 32.9 mt -59.74 -47.59 85.08 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.926 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 25' ' ' ARG . 7.5 mtp-105 -44.28 -39.84 4.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 14.3 mm-40 -57.82 137.27 56.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.424 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 37.4 tt0 -53.11 -32.92 49.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -61.8 -25.23 67.36 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.85 -179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -123.38 28.17 7.17 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.424 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.17 -24.7 32.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.895 179.901 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.4 m-85 -132.07 158.61 41.13 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.953 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.459 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.4 t -46.64 162.9 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.19 6.69 48.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.087 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -134.3 -55.76 0.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.872 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.583 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -100.57 3.63 42.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.459 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 78.3 mm-40 43.75 37.6 1.68 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.583 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.41 177.28 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.105 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 13.4 mtpt -105.13 97.33 7.2 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.16 64.63 0.68 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 86.84 0.56 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.745 2.297 . . . . 0.0 112.335 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.468 ' O ' HG21 ' A' ' 72' ' ' VAL . 11.2 tpp180 -65.35 -75.31 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.513 ' NE1' HD13 ' A' ' 53' ' ' ILE . 62.3 m95 -50.73 171.28 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.409 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.86 122.08 1.58 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.077 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -78.62 105.14 9.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.878 -179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.474 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 48.9 p-90 -66.72 -47.69 71.57 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.949 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -39.83 -45.79 1.85 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.921 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.536 HD13 ' CE2' ' A' ' 122' ' ' TYR . 21.9 mt -89.68 -49.4 13.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.126 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 107.83 44.44 1.21 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.46 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -146.96 151.46 13.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.709 ' CD2' HD21 ' A' ' 24' ' ' LEU . 91.8 m-85 -88.81 128.04 35.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.885 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 35.6 pt -132.54 154.6 40.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.136 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -71.49 -176.87 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.513 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.3 tp -75.62 -36.11 33.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.146 179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HD2' ' C ' ' A' ' 54' ' ' ARG . 7.6 tmm_? -59.08 -48.28 82.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.841 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.836 ' HA ' HD12 ' A' ' 58' ' ' ILE . 96.4 m -69.98 -43.02 72.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.855 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.43 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -42.44 -48.77 5.25 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.056 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -53.42 -41.8 63.89 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.462 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.836 HD12 ' HA ' ' A' ' 55' ' ' CYS . 11.3 mt -63.09 -42.18 95.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.826 0.346 . . . . 0.0 111.138 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.439 ' HB2' HG21 ' A' ' 69' ' ' VAL . 15.2 m-70 -56.04 -49.55 73.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.0 mtt180 -49.74 -47.59 50.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.885 -179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' LEU . 57.4 m-20 -53.99 -52.23 61.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.754 ' O ' HD12 ' A' ' 66' ' ' ILE . 20.4 mt -33.98 -52.52 0.44 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.35 147.33 6.14 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.523 179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.5 m -59.25 -28.87 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.814 0.34 . . . . 0.0 111.069 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.481 ' CD2' HG13 ' A' ' 66' ' ' ILE . 19.8 p-80 -73.82 -29.23 62.03 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.83 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.754 HD12 ' O ' ' A' ' 62' ' ' LEU . 27.0 mt -86.93 -58.62 3.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.12 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.3 t -152.67 163.62 39.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.833 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' HG3' ' CZ2' ' A' ' 45' ' ' TRP . 8.2 mmm180 -119.48 168.28 11.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.439 HG21 ' HB2' ' A' ' 59' ' ' HIS . 60.5 t -147.05 130.77 9.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.163 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -163.79 158.25 19.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.456 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 3.6 m -61.15 175.03 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.878 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.468 HG21 ' O ' ' A' ' 41' ' ' ARG . 14.6 t -109.85 -38.95 3.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.097 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -110.08 -37.73 5.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.891 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.456 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 91.1 mt -60.69 -52.05 66.79 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.958 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -88.38 164.4 15.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.886 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -91.87 148.89 21.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.1 m95 -123.63 166.96 14.61 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.914 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.4 p -127.01 157.57 39.22 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.272 -0.422 . . . . 0.0 111.099 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -45.87 -44.16 14.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.09 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -52.11 -50.28 61.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.878 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.474 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 46.9 mt-30 -68.05 -44.33 76.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.923 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 39.9 mm -54.95 -57.41 6.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.137 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -47.33 -39.28 14.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.942 179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.6 m -62.92 -42.91 99.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.836 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 91.0 mmm -52.64 -50.3 63.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.8 HE21 HD11 ' A' ' 23' ' ' LEU . 24.5 mp0 -70.67 -46.77 62.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -54.75 -62.38 1.7 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.6 tpt -74.52 -74.4 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.87 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.19 173.52 1.72 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.475 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -70.21 -41.78 73.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.89 0.376 . . . . 0.0 110.901 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 52.1 m -41.41 -69.84 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 27.2 mtpp -60.23 -43.76 95.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.51 -39.7 5.04 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.093 179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 42.7 mtp180 -74.22 -43.65 56.25 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.818 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 19.8 mt -71.96 -3.13 20.89 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.904 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.7 OUTLIER -113.04 -63.15 1.48 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.896 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 89.0 m-85 -74.5 -47.36 33.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.957 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.714 ' HG2' HD11 ' A' ' 101' ' ' LEU . 44.1 mt-10 -86.26 35.69 0.66 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.916 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -102.76 -41.8 6.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.076 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 35.0 m-80 -89.98 21.79 3.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.813 HD13 ' CD2' ' A' ' 105' ' ' PHE . 22.2 mt -72.86 155.94 90.23 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.603 0.716 . . . . 0.0 110.916 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 152.28 69.08 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.638 2.225 . . . . 0.0 112.312 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -54.6 -38.3 66.59 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.873 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -103.09 38.88 1.66 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.813 ' CD2' HD13 ' A' ' 101' ' ' LEU . 12.9 t80 -61.31 140.24 58.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.857 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -145.15 114.23 6.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 64.0 mtm-85 -53.17 130.78 51.11 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.637 0.732 . . . . 0.0 110.851 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 136.87 33.97 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.666 2.244 . . . . 0.0 112.333 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -96.41 -39.62 9.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.912 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.687 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.1 p -77.81 138.72 39.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.132 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.402 ' O ' ' C ' ' A' ' 112' ' ' GLN . 11.5 p-10 -56.79 -49.27 75.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.833 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.422 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 25.1 pt20 -38.37 -43.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.422 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -81.26 -55.09 4.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.104 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.687 HG23 ' O ' ' A' ' 110' ' ' THR . 59.6 t -37.7 -57.96 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.119 -179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -44.54 -43.51 8.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.891 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.423 ' O ' ' N ' ' A' ' 119' ' ' ARG . 37.4 m-85 -75.53 -59.97 2.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.855 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.472 ' CE1' ' HD2' ' A' ' 121' ' ' LYS . 15.9 t80 -37.51 -53.57 1.16 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.85 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.54 HD12 HD13 ' A' ' 58' ' ' ILE . 89.9 mt -62.53 -38.32 81.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.12 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.45 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 34.1 mtt180 -63.4 -50.75 68.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.906 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 9.8 m-20 -74.86 -9.75 58.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.847 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.472 ' HD2' ' CE1' ' A' ' 117' ' ' PHE . 53.2 tttt -99.57 -20.02 16.57 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.536 ' CE2' HD13 ' A' ' 47' ' ' ILE . 52.7 m-85 -122.2 -51.4 1.99 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.518 ' HG3' HD13 ' A' ' 66' ' ' ILE . 12.2 tt0 -63.84 -72.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.6 mtmt -63.36 -24.55 67.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.891 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp 60.09 38.3 20.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.935 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.1 mtpp -59.95 -59.84 4.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.936 179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -85.16 32.65 0.54 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.887 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.459 ' CE1' HD11 ' A' ' 96' ' ' LEU . 79.1 t80 -95.01 118.25 31.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.933 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -87.44 108.59 19.08 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.862 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -85.3 -32.82 22.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -54.82 -38.42 67.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.903 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.8 -16.61 51.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.557 HG22 ' O ' ' A' ' 133' ' ' ILE . 28.2 mm -82.95 60.33 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.136 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -81.88 14.42 2.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.072 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.521 ' H ' HD12 ' A' ' 135' ' ' ILE . 5.2 mp -68.85 129.09 33.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.136 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 25.0 p -52.36 164.84 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -84.41 115.06 4.02 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.464 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 155.53 65.74 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.351 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 35.0 t -71.05 98.28 1.61 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.864 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.5 t -42.8 -54.22 4.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.844 -179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.389 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.523 -179.98 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 t -164.7 126.61 2.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.895 0.378 . . . . 0.0 110.825 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 89.3 p -152.03 155.26 37.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.35 81.84 0.1 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.51 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 t -74.19 97.9 3.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.861 0.363 . . . . 0.0 110.895 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 99.7 p -119.58 157.35 28.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 66.63 118.69 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 39.8 mtpt -99.3 99.27 10.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.727 0.298 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.42 ' HB2' ' CD ' ' A' ' 22' ' ' LYS . . . -48.49 -40.98 28.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.096 179.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 mm100 -39.23 -50.14 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.911 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 7.0 mptt -89.65 -36.96 14.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.1 mp -85.5 35.53 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.7 p30 -71.93 100.21 2.4 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.873 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.5 tt0 -95.36 -51.99 4.35 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.864 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.445 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 5.8 pt20 -150.35 142.2 23.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.527 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 4.1 m-70 -44.58 -60.77 1.82 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.84 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 2.7 mm100 -40.34 -52.08 2.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.985 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.445 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 1.2 tm? -55.06 -57.92 9.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 20.7 mt -47.72 -60.91 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.157 179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 27.6 mt -42.82 -47.38 5.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.941 179.887 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.0 m -62.61 -44.72 95.58 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.42 ' CD ' ' HB2' ' A' ' 9' ' ' ALA . 15.2 mttm -51.68 -44.25 63.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.903 HD11 ' OE1' ' A' ' 86' ' ' GLN . 22.8 mt -59.82 -57.78 11.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.952 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 50.7 mt -48.92 -48.27 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.899 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 35.0 mtp85 -43.28 -43.22 4.79 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.867 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.2 mm-40 -54.78 145.35 19.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.41 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 3.3 tp10 -59.36 -36.72 76.25 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.872 -179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -60.93 -22.22 64.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.42 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 1.0 OUTLIER -121.48 24.97 9.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 -179.893 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.3 OUTLIER -83.3 -17.27 43.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.454 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 8.8 m-85 -141.55 151.43 43.22 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.952 -179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.469 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.9 t -38.86 159.25 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.906 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.419 ' C ' ' OD1' ' A' ' 34' ' ' ASP . . . -90.31 0.5 57.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.11 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.419 ' OD1' ' C ' ' A' ' 33' ' ' ALA . 2.3 m-20 -126.98 -61.23 1.18 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.487 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.4 p -95.81 4.95 52.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.469 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.5 pt-20 39.99 43.98 1.37 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.03 -178.28 0.08 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.091 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 21.6 tttt -106.92 98.44 8.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.49 62.49 0.76 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.478 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 85.79 0.61 Allowed 'Trans proline' 0 C--O 1.231 0.168 0 C-N-CA 122.667 2.245 . . . . 0.0 112.319 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.639 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -66.15 -70.81 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.533 ' HE1' HD13 ' A' ' 53' ' ' ILE . 57.2 m95 -49.35 163.63 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.914 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.611 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -161.39 120.18 2.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.128 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -80.48 114.96 19.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.793 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.487 ' CG ' ' N ' ' A' ' 46' ' ' ASN . 46.1 p-90 -74.9 -54.2 7.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.487 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -37.95 -32.69 0.07 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.927 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 70.4 mt -100.86 -47.43 11.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.165 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.94 42.44 2.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.493 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 35.9 m -144.52 153.42 14.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.611 ' CD1' ' HB2' ' A' ' 43' ' ' ALA . 97.2 m-85 -93.81 126.92 39.27 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.465 HD12 ' HA ' ' A' ' 56' ' ' ALA . 22.4 pt -128.3 159.3 39.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.17 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.5 p -77.94 -176.68 4.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.533 HD13 ' HE1' ' A' ' 42' ' ' TRP . 5.4 tp -72.76 -29.34 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.152 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.1 tmm_? -66.7 -65.81 0.63 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.645 ' HA ' HD12 ' A' ' 58' ' ' ILE . 95.4 m -52.33 -44.85 65.38 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.88 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -38.54 -46.6 1.2 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.137 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.8 -46.37 76.15 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.645 HD12 ' HA ' ' A' ' 55' ' ' CYS . 12.7 mt -59.69 -37.68 72.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.888 0.375 . . . . 0.0 111.133 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 16.4 m-70 -59.98 -46.51 89.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.886 179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 mtp180 -57.53 -45.7 84.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.415 ' O ' ' C ' ' A' ' 62' ' ' LEU . 38.3 m-20 -53.15 -51.3 62.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.415 ' C ' ' O ' ' A' ' 61' ' ' ASN . 24.5 mt -36.78 -55.97 0.86 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.926 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.31 138.16 3.91 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 28.5 m -47.67 -36.92 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.877 0.37 . . . . 0.0 111.174 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 18.6 p-80 -65.21 -34.13 77.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.822 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.521 HD13 ' HG2' ' A' ' 123' ' ' GLU . 11.5 mt -84.47 -61.83 1.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.125 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 74.7 m -148.53 147.71 29.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.821 -179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.461 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 12.5 mtp180 -118.04 149.42 41.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.856 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 56' ' ' ALA . 82.4 t -123.27 132.74 70.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.125 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -156.1 137.16 13.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.2 m -47.41 167.31 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.639 HG21 ' O ' ' A' ' 41' ' ' ARG . 8.6 t -100.87 -50.5 10.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.152 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -97.21 -52.16 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.882 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 36.2 mt -48.44 -41.69 30.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.5 m-20 -96.26 161.42 13.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.839 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 56.2 tt0 -92.15 150.33 20.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 15.3 m95 -127.29 165.28 19.99 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 82.1 p -122.28 147.68 45.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.152 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.18 -45.26 16.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.105 179.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -52.87 -43.86 66.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mm-40 -76.18 -34.99 59.33 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.881 -179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.408 HD13 ' HA ' ' A' ' 82' ' ' ILE . 9.2 mm -57.57 -51.05 74.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.101 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 10.2 tp60 -45.5 -49.63 13.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.9 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.404 ' O ' ' C ' ' A' ' 85' ' ' MET . 2.7 m -46.96 -60.04 2.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.404 ' C ' ' O ' ' A' ' 84' ' ' CYS . 83.2 mmm -36.65 -56.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.906 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.903 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.7 mp0 -63.48 -47.83 80.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -52.61 -63.24 1.21 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.5 tpt -73.38 -75.02 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.857 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.62 156.13 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.477 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -52.54 -39.92 61.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.97 0.414 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 87.3 m -40.48 -70.39 0.11 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.186 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 26.1 mttp -61.52 -45.1 95.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -40.81 -41.59 1.6 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.109 179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 64.0 mtt180 -70.21 -46.95 63.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.898 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.429 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 22.9 mt -68.13 -7.44 29.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.956 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.428 HD21 ' HB3' ' A' ' 132' ' ' ALA . 0.8 OUTLIER -107.74 -67.3 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 179.917 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.401 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 77.0 m-85 -71.14 -50.08 37.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.445 ' CB ' HD12 ' A' ' 101' ' ' LEU . 39.9 mt-10 -86.89 36.67 0.73 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.927 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.429 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -94.47 -40.44 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.6 m-80 -89.9 19.33 4.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.882 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.445 HD12 ' CB ' ' A' ' 98' ' ' GLU . 18.4 mt -86.56 147.32 43.71 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.59 0.71 . . . . 0.0 110.923 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 136.45 33.08 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.687 2.258 . . . . 0.0 112.351 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.13 -40.35 4.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -96.63 35.07 1.56 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.44 ' CE2' ' HB3' ' A' ' 107' ' ' ARG . 7.3 t80 -60.07 143.34 52.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.3 tpp85 -131.75 90.46 2.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.44 ' HB3' ' CE2' ' A' ' 105' ' ' PHE . 1.0 OUTLIER -48.64 141.93 9.25 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.611 0.72 . . . . 0.0 110.848 -179.912 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 145.62 57.63 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 15.5 mm-40 -105.93 -37.13 6.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.444 ' O ' ' C ' ' A' ' 111' ' ' ASP . 34.3 p -73.34 117.89 15.63 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.16 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.444 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.3 OUTLIER -34.74 -58.76 0.5 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.873 179.914 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.1 mp0 -35.31 -58.52 0.56 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -63.62 -50.16 70.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.123 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 98.4 t -47.38 -40.45 6.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.4 tt0 -58.4 -43.87 88.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 13.4 m-85 -73.77 -53.99 9.05 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.443 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 31.5 t80 -43.79 -61.0 1.56 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.839 -179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.416 HD12 HD13 ' A' ' 58' ' ' ILE . 76.7 mt -55.15 -38.84 48.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.098 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.502 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 35.3 mtp85 -61.3 -56.82 16.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.835 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -70.45 -10.04 58.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.443 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 57.5 tttt -91.3 -39.02 12.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.401 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 75.1 m-85 -108.2 -44.37 4.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.92 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.521 ' HG2' HD13 ' A' ' 66' ' ' ILE . 0.2 OUTLIER -66.71 -68.59 0.36 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 -179.988 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.5 mmtp -67.37 -22.21 65.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.87 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.518 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 30.8 mmtp 59.19 37.0 24.05 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.94 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 24.1 mtpt -58.24 -73.45 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.904 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 6.3 m-85 -66.19 -18.65 65.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.518 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 85.5 t80 -46.34 126.8 8.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.941 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -92.78 116.37 28.96 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.875 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.1 ptmt -89.55 -36.46 15.33 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -40.01 -37.22 0.56 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.445 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -52.5 -44.2 65.54 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.549 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 28.6 mm -33.6 -40.45 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.549 ' HB3' ' O ' ' A' ' 133' ' ' ILE . . . 74.12 32.35 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.111 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.845 HD12 ' N ' ' A' ' 136' ' ' SER . 0.1 OUTLIER -82.46 137.79 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.171 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.845 ' N ' HD12 ' A' ' 135' ' ' ILE . 10.3 m -36.99 113.02 0.22 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.857 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -170.91 122.44 0.97 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.505 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -50.85 0.42 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.727 2.284 . . . . 0.0 112.286 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.3 t -175.06 176.55 2.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.834 -179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 33.2 t -132.45 132.13 42.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.846 -179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.475 179.987 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -83.5 101.37 11.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.886 0.374 . . . . 0.0 110.861 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -169.05 175.43 5.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.838 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.47 123.0 3.59 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.449 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 t -161.73 136.29 7.04 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 0.0 110.845 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -102.31 43.11 1.09 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.863 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.21 81.9 1.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.48 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 22.1 mmtp -45.54 170.31 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.776 0.322 . . . . 0.0 110.88 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 10' ' ' GLN . . . -128.6 -30.9 2.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.126 179.797 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.453 ' C ' ' O ' ' A' ' 9' ' ' ALA . 0.6 OUTLIER -34.26 -63.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.894 -179.914 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.466 ' CD ' ' H ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -69.16 -32.15 71.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 179.981 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 4.6 mp -98.34 80.95 2.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.1 m-20 -157.38 136.56 11.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -106.9 43.83 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.901 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.4 mm100 -109.01 87.39 2.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.903 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 23.4 m170 -40.86 -58.17 1.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 6.6 mp0 -52.6 -63.12 1.25 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.4 tp -46.34 -61.57 1.73 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.96 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 62.1 mt -42.1 -56.69 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.115 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.499 HD13 HG12 ' A' ' 72' ' ' VAL . 36.3 mt -48.41 -43.73 34.35 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 179.898 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 10.4 t -65.01 -44.45 89.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.403 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -51.76 -48.78 63.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 179.896 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.645 HD11 HE21 ' A' ' 86' ' ' GLN . 27.9 mt -52.66 -43.86 65.79 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.935 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 61.3 mt -60.12 -13.06 10.1 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.934 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -118.24 36.6 4.3 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.903 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 46.0 mm-40 -119.64 29.41 7.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.843 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 2.0 tp10 44.74 25.13 0.13 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.924 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.469 ' OD1' ' N ' ' A' ' 29' ' ' ASN . 7.8 p30 -123.77 -37.84 2.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.84 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.469 ' N ' ' OD1' ' A' ' 28' ' ' ASP . 47.0 m-80 -117.23 21.69 12.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.936 -179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 4.3 mmmm -60.69 -29.99 69.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.843 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 2.0 m-85 -133.71 165.1 25.73 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.889 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.443 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.0 t -53.57 161.24 1.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.921 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.53 3.19 54.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.106 179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.439 ' OD1' ' NZ ' ' A' ' 121' ' ' LYS . 2.6 m-20 -126.7 -67.41 0.86 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.545 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 19.1 p -88.85 -4.18 58.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.878 -179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' OE1' ' CZ ' ' A' ' 107' ' ' ARG . 91.7 mt-10 52.2 39.29 26.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.854 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.545 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.33 130.76 43.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.14 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 38.1 mttp -66.21 117.43 8.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.949 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.44 59.03 0.93 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.474 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 87.19 0.56 Allowed 'Trans proline' 0 C--O 1.232 0.18 0 C-N-CA 122.651 2.234 . . . . 0.0 112.362 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.6 -70.56 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.861 -179.956 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.422 ' CE2' HD13 ' A' ' 53' ' ' ILE . 48.4 m95 -59.73 167.29 2.16 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.868 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.552 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.09 130.84 3.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -89.32 113.19 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.854 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.577 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 63.4 p-90 -73.04 -50.67 21.67 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 0.5 OUTLIER -44.37 -31.74 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.897 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.463 HD13 ' CE1' ' A' ' 122' ' ' TYR . 96.3 mt -97.46 -40.23 9.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 93.82 40.31 4.69 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.477 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 34.9 m -146.4 153.66 12.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.879 0.371 . . . . 0.0 111.144 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.552 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 90.8 m-85 -96.4 118.81 33.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 22.7 pt -121.31 164.27 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.093 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.4 p -81.67 177.22 9.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.51 HG23 ' N ' ' A' ' 54' ' ' ARG . 5.8 tp -64.94 -48.09 85.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.15 179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.51 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.8 -62.25 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.436 ' HA ' HD13 ' A' ' 58' ' ' ILE . 68.5 m -54.28 -45.54 72.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.508 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.78 -52.79 13.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.055 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.54 -48.78 7.18 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.479 -179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.686 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.0 mp -62.32 -44.51 99.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.871 0.367 . . . . 0.0 111.092 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 30.4 m-70 -52.58 -45.08 66.32 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.865 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.414 HH11 ' HD3' ' A' ' 60' ' ' ARG . 29.0 mtp180 -53.25 -50.11 65.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.817 -179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.51 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.2 OUTLIER -53.67 -49.3 68.26 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.876 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.711 ' O ' HD12 ' A' ' 66' ' ' ILE . 33.5 mt -32.98 -50.85 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.889 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.04 133.56 3.4 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.513 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 16.5 m -47.72 -24.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.84 0.352 . . . . 0.0 111.099 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.524 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -79.61 -35.53 39.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.859 179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.711 HD12 ' O ' ' A' ' 62' ' ' LEU . 36.6 mt -78.71 -54.22 12.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.468 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 51.2 m -159.64 130.49 5.85 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 27.6 mtt180 -98.54 152.92 19.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.508 HG11 ' HB1' ' A' ' 56' ' ' ALA . 43.6 t -127.22 134.23 66.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.153 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 8.0 ptpt -158.8 142.83 15.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.471 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 17.6 m -57.09 138.1 54.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.847 -179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.499 HG12 HD13 ' A' ' 20' ' ' LEU . 14.5 t -61.99 -47.22 94.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.155 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.469 ' O ' ' C ' ' A' ' 74' ' ' LEU . 12.6 t30 -107.12 -65.6 1.08 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.471 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 30.2 mt -32.45 -39.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.962 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 73' ' ' ASN . 0.8 OUTLIER -99.0 158.91 15.33 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 179.802 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -86.8 145.26 26.69 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.944 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.45 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 10.0 m95 -124.0 176.56 6.27 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.925 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 74.9 p -136.84 155.25 50.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.288 -0.414 . . . . 0.0 111.129 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.72 -46.59 10.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.7 tm-20 -46.9 -50.56 18.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.872 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.577 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 6.4 mp0 -67.21 -49.83 63.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.896 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.8 mm -48.47 -62.63 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.151 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -45.6 -48.77 14.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.931 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 20.4 m -54.26 -55.99 22.82 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 85.5 mmm -38.31 -47.52 1.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.645 HE21 HD11 ' A' ' 23' ' ' LEU . 14.8 mp0 -71.28 -44.84 64.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -53.62 -57.72 9.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.4 tpt -84.05 -73.62 0.41 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.87 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 61.75 174.73 1.77 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.457 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 5.0 m-20 -68.51 -41.51 79.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.859 0.361 . . . . 0.0 110.864 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 98.2 m -39.63 -64.87 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.13 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 95' ' ' LEU . 48.4 mttm -67.47 -47.57 69.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.872 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -39.29 -40.42 0.77 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 11.3 ttm-85 -74.28 -38.61 63.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 92' ' ' LYS . 11.8 mt -76.65 -5.5 48.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.604 HD21 ' HB3' ' A' ' 132' ' ' ALA . 1.0 OUTLIER -110.14 -63.37 1.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.913 179.884 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.737 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 87.4 m-85 -73.61 -48.22 34.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 15.6 mt-10 -84.79 34.78 0.55 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.883 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -100.09 -37.9 8.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.108 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 51.2 m-20 -89.14 18.39 5.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.517 HD22 ' CD1' ' A' ' 105' ' ' PHE . 15.2 mt -76.22 145.14 76.14 Favored Pre-proline 0 C--N 1.328 -0.355 0 CA-C-O 121.639 0.733 . . . . 0.0 110.909 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 141.98 46.7 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 5.0 pt-20 -48.19 -38.57 18.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.871 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.447 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.7 OUTLIER -100.13 38.96 1.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.865 -179.917 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.522 ' CZ ' ' HA ' ' A' ' 107' ' ' ARG . 14.8 t80 -62.39 143.55 56.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.874 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 23.1 ttt180 -125.55 97.3 5.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.522 ' HA ' ' CZ ' ' A' ' 105' ' ' PHE . 18.8 ttp-105 -54.67 120.03 25.1 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.554 0.692 . . . . 0.0 110.847 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 142.6 48.24 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.718 2.279 . . . . 0.0 112.333 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 -108.05 -38.5 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.506 ' O ' HG23 ' A' ' 114' ' ' VAL . 40.1 p -81.04 143.8 32.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.171 -179.941 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.414 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 m-20 -52.11 -47.9 65.07 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.862 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' A' ' 111' ' ' ASP . 1.5 tp-100 -37.07 -44.83 0.55 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.906 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -85.84 -56.01 3.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.081 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.506 HG23 ' O ' ' A' ' 110' ' ' THR . 62.0 t -42.35 -66.66 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.129 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.577 ' OE2' HG23 ' A' ' 58' ' ' ILE . 5.9 tp10 -32.69 -55.16 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.888 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 10.2 m-85 -61.72 -47.75 83.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.545 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 38.5 t80 -43.74 -61.13 1.51 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 75.7 mt -62.79 -39.41 84.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.093 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 36.2 mtt180 -68.55 -8.71 44.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.928 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 32.0 m-20 -124.83 -10.76 7.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.858 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.545 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 14.4 ttpt -93.73 -37.02 12.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.949 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.737 ' CE1' ' CZ ' ' A' ' 97' ' ' TYR . 14.7 m-85 -106.62 -47.48 3.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.555 ' HG3' HD13 ' A' ' 66' ' ' ILE . 9.0 tt0 -65.48 -64.14 0.93 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 17.1 mmtp -72.54 -21.42 61.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.513 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 55.4 mmtt 58.17 36.85 26.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.905 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.3 mtpp -57.16 -65.64 0.59 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.876 179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.4 m-85 -84.68 33.17 0.52 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.513 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 69.0 t80 -90.53 122.22 33.16 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -91.4 57.72 3.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.875 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -43.58 -28.57 0.39 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 10.8 m-20 -45.96 -45.51 15.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.872 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.604 ' HB3' HD21 ' A' ' 96' ' ' LEU . . . -46.27 -41.11 12.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.125 179.867 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.499 HG22 ' O ' ' A' ' 133' ' ' ILE . 5.2 mp -103.81 66.26 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.128 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -79.39 12.12 2.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.053 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 45.5 mm -84.77 90.68 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.084 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.4 m -149.67 143.88 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -104.96 174.38 21.47 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 -29.3 24.22 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.695 2.264 . . . . 0.0 112.346 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 84.1 p -86.59 132.17 33.97 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.84 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 42.1 t -123.06 126.75 47.69 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.878 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 CA-C-O 119.145 -0.808 . . . . 0.0 112.507 -179.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.4 p -121.72 158.94 27.65 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.909 0.385 . . . . 0.0 110.804 -179.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 81.3 p -162.6 157.41 21.96 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.88 73.49 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.488 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.8 p -126.06 129.79 49.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.91 0.386 . . . . 0.0 110.871 -179.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.7 p -127.16 161.05 29.4 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.803 -179.766 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.0 52.14 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.415 ' O ' ' N ' ' A' ' 11' ' ' LYS . 1.8 mptm? -105.8 84.79 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 0.0 110.87 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -36.54 -48.71 0.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -49.33 -44.8 44.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.928 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 8' ' ' LYS . 12.9 ttpp -71.77 -40.34 69.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 mp -83.37 50.65 1.81 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.907 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.2 t30 -132.3 98.13 4.31 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -120.0 -57.49 1.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 15.1 pt20 -152.05 133.58 14.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.898 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 82' ' ' ILE . 16.0 m170 -38.82 -64.08 0.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 16' ' ' HIS . 10.6 mm100 -36.24 -67.98 0.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tt -48.9 -60.08 3.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.927 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 89.3 mt -38.83 -58.62 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.134 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.67 HD13 HG12 ' A' ' 72' ' ' VAL . 22.9 mt -42.88 -42.84 3.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -68.43 -38.75 81.49 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.877 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 23.6 mttt -59.85 -36.15 76.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.849 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.491 ' CD1' ' OE1' ' A' ' 86' ' ' GLN . 10.8 mt -69.64 -42.6 74.05 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.969 179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.666 HD21 ' CD1' ' A' ' 50' ' ' PHE . 79.0 mt -58.67 -44.6 90.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.908 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 65.7 mtt-85 -49.68 -31.41 11.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 23.2 mm-40 -67.11 135.82 54.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.464 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 11.8 tt0 -51.7 -32.66 30.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.851 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.43 -33.65 72.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.884 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.406 ' ND2' ' CE2' ' A' ' 50' ' ' PHE . 3.7 m-20 -116.95 26.96 9.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.881 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.464 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 9.6 mmtp -82.75 -17.8 42.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.892 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 3.1 m-85 -141.42 164.61 29.77 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.916 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.405 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 15.2 t -51.38 156.13 1.29 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -88.16 5.68 40.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -133.64 -60.53 0.83 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.844 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.632 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -94.39 6.6 48.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.457 ' CG ' ' HD3' ' A' ' 107' ' ' ARG . 7.2 mm-40 40.28 35.76 0.29 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.632 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.31 149.96 31.98 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.129 179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.7 tttt -81.73 107.53 14.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.918 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 104.62 63.04 0.66 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.507 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 82.36 0.76 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.726 2.284 . . . . 0.0 112.325 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.532 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -67.21 -70.84 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.933 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.69 ' NE1' HD13 ' A' ' 53' ' ' ILE . 54.5 m95 -57.25 168.91 0.65 Allowed 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.04 136.68 4.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.129 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -98.8 105.57 17.73 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.855 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.582 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 43.4 p-90 -67.44 -53.79 25.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.917 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.709 ' ND2' ' H ' ' A' ' 68' ' ' ARG . 2.2 p30 -33.89 -40.89 0.09 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.918 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 22.8 mt -95.4 -45.49 13.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.117 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.38 41.32 2.4 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.521 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.472 ' CG1' ' CB ' ' A' ' 93' ' ' ALA . 29.9 m -140.97 146.54 23.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.879 0.371 . . . . 0.0 111.119 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.666 ' CD1' HD21 ' A' ' 24' ' ' LEU . 94.7 m-85 -90.54 123.85 34.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.7 pt -128.4 167.12 24.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.098 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.7 p -84.63 -178.88 7.0 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.69 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.2 tp -71.14 -35.89 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.131 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.9 tmm_? -58.76 -62.62 1.74 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.886 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 86.2 m -56.07 -44.62 79.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.865 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.687 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -45.07 -52.69 8.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.1 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.44 -39.79 7.82 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.467 HG12 ' CB ' ' A' ' 115' ' ' GLU . 3.3 mp -74.43 -37.31 44.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 111.136 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -57.45 -42.39 82.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.827 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.445 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 6.7 mtp-105 -56.5 -42.88 79.07 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.442 ' O ' ' C ' ' A' ' 62' ' ' LEU . 4.2 m-20 -55.31 -47.38 75.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.671 ' O ' HD12 ' A' ' 66' ' ' ILE . 31.9 mt -34.41 -49.06 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 132.05 144.49 5.34 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.5 m -57.2 -16.75 4.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.837 0.351 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.406 ' CD2' HG13 ' A' ' 66' ' ' ILE . 24.6 p-80 -88.74 -26.94 21.5 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.803 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.671 HD12 ' O ' ' A' ' 62' ' ' LEU . 21.4 mt -89.85 -47.2 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.205 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 45.5 t -156.29 146.74 21.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.709 ' H ' ' ND2' ' A' ' 46' ' ' ASN . 25.9 mtm180 -124.15 93.87 4.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.687 HG11 ' HB1' ' A' ' 56' ' ' ALA . 60.2 t -68.73 135.98 27.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.151 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 7.2 ptpt -155.67 148.83 24.61 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.928 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.485 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 1.9 m -65.77 133.6 51.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.869 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.67 HG12 HD13 ' A' ' 20' ' ' LEU . 2.2 t -62.4 -34.4 64.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.111 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 60.4 t30 -112.89 -67.41 1.0 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.8 mt -37.94 -34.11 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.403 ' HB3' ' O ' ' A' ' 71' ' ' SER . 0.9 OUTLIER -94.06 159.9 14.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 179.87 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 6.0 tp-100 -95.61 119.12 33.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.924 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.556 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 18.5 m95 -99.78 166.27 11.18 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.414 ' O ' ' C ' ' A' ' 79' ' ' ALA . 59.2 p -133.15 151.45 51.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.145 -179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.414 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.61 -49.06 0.73 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.101 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -52.64 -51.07 61.72 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.582 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 0.1 OUTLIER -62.95 -25.97 68.6 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.918 -179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.574 HG13 ' CD2' ' A' ' 16' ' ' HIS . 18.0 mm -80.94 -29.13 11.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.09 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 23.7 tp60 -67.43 -28.92 68.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.423 ' SG ' ' N ' ' A' ' 85' ' ' MET . 13.0 p -81.22 -43.22 19.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.494 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 80.8 mmm -49.27 -42.0 39.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.542 ' N ' ' OE1' ' A' ' 86' ' ' GLN . 0.5 OUTLIER -81.71 -59.86 2.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.914 -179.956 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 -42.71 -40.14 2.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -98.71 -74.21 0.59 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.896 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.02 -162.76 42.33 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.531 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -98.12 -28.25 13.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.926 0.393 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.407 ' O ' ' HG2' ' A' ' 94' ' ' ARG . 90.6 m -59.37 -43.14 92.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.152 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 45.1 mtpt -87.98 -37.38 16.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.893 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.472 ' CB ' ' CG1' ' A' ' 49' ' ' VAL . . . -59.68 -36.17 75.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.118 179.788 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.484 ' HG3' ' N ' ' A' ' 95' ' ' LEU . 31.6 ptt180 -71.85 -47.39 53.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.952 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 26.4 mt -68.45 -13.22 62.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.414 ' CD1' ' CE1' ' A' ' 128' ' ' TYR . 1.6 tm? -97.56 -67.65 0.84 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.87 179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 79.7 m-85 -67.88 -48.59 65.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.906 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -90.35 37.02 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.88 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.952 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -95.92 -43.79 7.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 57.6 m-80 -89.1 23.42 2.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.565 HD22 ' CD1' ' A' ' 105' ' ' PHE . 18.6 mt -59.74 152.5 57.61 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.58 0.705 . . . . 0.0 110.892 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 149.43 66.75 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.64 2.227 . . . . 0.0 112.356 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -51.92 -46.89 64.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.886 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 11.8 p30 -95.52 38.86 1.14 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.565 ' CD1' HD22 ' A' ' 101' ' ' LEU . 37.6 t80 -59.95 147.59 38.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.427 ' NH1' ' HB3' ' A' ' 106' ' ' ARG . 20.4 ttp-105 -153.77 115.8 4.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.897 -179.875 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.457 ' HD3' ' CG ' ' A' ' 36' ' ' GLU . 58.5 mtm-85 -52.71 125.39 37.76 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.584 0.707 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 140.04 41.59 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.684 2.256 . . . . 0.0 112.299 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.8 tp-100 -104.47 -40.08 6.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.924 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.5 t -81.71 126.02 31.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.126 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.408 ' O ' ' C ' ' A' ' 112' ' ' GLN . 3.8 t70 -43.5 -50.8 7.0 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.85 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.408 ' C ' ' O ' ' A' ' 111' ' ' ASP . 33.9 tt0 -37.01 -34.88 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.95 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -97.06 -49.08 5.14 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.119 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.408 ' O ' ' C ' ' A' ' 115' ' ' GLU . 59.5 t -48.24 -63.88 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.467 ' CB ' HG12 ' A' ' 58' ' ' ILE . 12.8 tt0 -36.7 -56.62 0.83 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.904 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.462 ' O ' ' N ' ' A' ' 119' ' ' ARG . 11.0 m-85 -58.97 -58.49 8.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.85 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.561 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 29.6 t80 -36.64 -53.24 0.9 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.905 -179.917 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 61.6 mt -61.8 -37.75 78.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.115 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.49 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 23.4 mtp85 -68.21 -59.42 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.856 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -65.81 -9.12 25.76 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.561 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 16.8 ttpp -95.3 -43.16 8.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.893 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 76.5 m-85 -102.69 -47.0 4.56 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.939 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 119' ' ' ARG . 3.9 tm-20 -64.29 -63.43 1.14 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.874 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 39.2 mtpt -73.83 -25.62 60.18 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.52 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 24.1 mmtp 61.45 40.13 14.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.863 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -61.36 -71.26 0.15 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.871 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 3.8 m-85 -67.18 -18.69 65.37 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.905 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.52 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 86.4 t80 -47.96 118.22 2.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.914 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 21.5 t0 -89.21 114.74 26.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.876 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 18.0 pttm -90.11 -38.37 13.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.936 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 132' ' ' ALA . 22.7 m-20 -46.03 -42.57 13.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.935 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.417 ' C ' ' O ' ' A' ' 131' ' ' ASN . . . -36.01 -39.27 0.16 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.102 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.591 HG22 ' O ' ' A' ' 133' ' ' ILE . 5.4 mp -98.17 64.15 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.125 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -151.15 164.57 36.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.106 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.2 mp -82.48 130.89 34.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.145 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 60.7 p -44.19 140.44 2.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -89.05 -158.19 33.85 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.499 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 143.68 51.78 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.7 2.267 . . . . 0.0 112.35 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 97.3 p -131.51 146.19 52.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.858 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 8.7 t -118.06 -50.14 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.859 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.173 -0.793 . . . . 0.0 112.468 179.989 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -82.54 110.78 17.94 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.934 0.397 . . . . 0.0 110.859 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.6 t -119.72 142.08 48.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.849 -179.779 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -177.82 60.39 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.483 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.0 t -124.04 114.42 19.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.914 0.388 . . . . 0.0 110.831 -179.722 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.1 m -140.96 118.35 11.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.85 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.75 -145.13 4.29 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.492 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 35.9 mttp -121.34 94.34 4.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.84 0.353 . . . . 0.0 110.899 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -83.17 -53.6 5.66 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.111 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.421 ' HG2' ' N ' ' A' ' 11' ' ' LYS . 0.7 OUTLIER -41.91 -35.95 0.96 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.421 ' N ' ' HG2' ' A' ' 10' ' ' GLN . 0.0 OUTLIER -83.78 -46.54 12.11 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.943 179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.9 mp -79.92 44.03 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.942 179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 68.8 m-20 -110.37 42.9 1.47 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -95.77 -45.43 7.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 tt0 -78.03 88.65 4.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.945 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.671 ' HA ' HD12 ' A' ' 19' ' ' ILE . 19.2 m-70 -45.67 -68.09 0.23 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.9 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 16' ' ' HIS . 47.9 mm-40 -35.9 -53.17 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.904 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.405 ' HG ' ' CE ' ' A' ' 22' ' ' LYS . 60.9 tp -55.43 -53.9 50.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.907 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 16' ' ' HIS . 16.5 mt -49.85 -61.96 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.167 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.47 HD11 ' CG ' ' A' ' 77' ' ' TRP . 38.1 mt -41.81 -43.84 3.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.919 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 4.2 m -66.02 -40.88 91.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.874 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' CE ' ' HG ' ' A' ' 18' ' ' LEU . 13.5 mttm -55.55 -44.06 76.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.889 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.766 HD11 HE21 ' A' ' 86' ' ' GLN . 27.8 mt -57.4 -49.46 76.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.874 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.464 HD21 ' CD2' ' A' ' 50' ' ' PHE . 79.9 mt -57.58 -42.55 83.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.888 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 12.7 mtp180 -53.32 -43.85 67.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -44.91 158.48 0.06 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.859 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -84.85 25.04 0.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.44 ' CG ' ' HB2' ' A' ' 90' ' ' ASN . 2.8 t70 -120.16 -37.07 3.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 17.9 m-20 -106.02 27.07 8.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.914 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 10.7 mttm -72.66 -27.05 61.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.883 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.419 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.6 m-85 -133.71 175.1 9.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.901 -179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.413 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 18.7 t -61.38 165.42 4.7 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.864 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.23 -3.63 43.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.118 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.423 ' O ' ' NH1' ' A' ' 107' ' ' ARG . 36.0 m-20 -120.87 -54.12 2.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.531 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 22.8 p -106.56 10.13 31.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.877 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.419 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 49.6 mm-40 36.89 39.28 0.11 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.892 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.531 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -59.46 156.44 13.09 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.075 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 64.0 mttt -86.63 106.57 17.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 101.12 64.09 0.78 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.444 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 86.56 0.58 Allowed 'Trans proline' 0 C--O 1.232 0.19 0 C-N-CA 122.655 2.237 . . . . 0.0 112.344 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -64.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.845 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 40.6 m95 -62.1 162.0 10.11 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.939 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.51 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -159.52 120.51 3.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.127 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.4 m -80.76 101.57 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.849 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 69.1 p-90 -66.03 -47.89 72.89 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.902 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.427 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 3.8 t30 -43.74 -39.08 3.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.788 HD11 ' OG ' ' A' ' 67' ' ' SER . 71.9 mt -90.08 -50.25 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.148 179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.0 41.8 1.38 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.499 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.424 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.8 m -151.07 152.69 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.858 0.361 . . . . 0.0 111.107 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.51 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 87.5 m-85 -93.7 125.6 38.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.892 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 31.2 pt -126.78 169.28 18.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.7 p -85.49 178.25 7.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 17.2 tt -70.39 -38.14 73.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.123 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.452 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -56.38 -62.08 1.96 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.886 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.447 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 72.3 m -57.85 -40.08 79.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.671 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -47.38 -53.07 14.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.7 -38.84 30.08 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.495 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.442 HD12 ' O ' ' A' ' 54' ' ' ARG . 4.5 mp -72.5 -41.91 64.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.844 0.354 . . . . 0.0 111.106 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.1 m-70 -51.54 -52.23 48.77 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.7 mtp-105 -45.61 -50.8 12.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.416 ' O ' ' C ' ' A' ' 62' ' ' LEU . 83.1 m-20 -48.57 -48.41 38.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.582 ' O ' HD12 ' A' ' 66' ' ' ILE . 33.1 mt -36.8 -52.7 0.92 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.35 137.73 3.65 Favored Glycine 0 N--CA 1.452 -0.255 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.482 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 21.0 m -50.58 -26.76 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.143 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.0 p-80 -75.47 -28.59 59.31 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.838 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.582 HD12 ' O ' ' A' ' 62' ' ' LEU . 32.8 mt -89.05 -56.75 4.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.105 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.788 ' OG ' HD11 ' A' ' 47' ' ' ILE . 49.4 m -149.88 130.27 13.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.854 -179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 42.1 mtt180 -109.88 76.79 1.01 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.893 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.671 HG11 ' HB1' ' A' ' 56' ' ' ALA . 96.6 t -40.84 130.98 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.129 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 20.2 tttt -138.57 169.42 17.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.905 179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.459 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.1 p -102.51 135.66 43.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.4 HG22 ' HB3' ' A' ' 43' ' ' ALA . 3.4 t -69.79 -52.39 31.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.13 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.474 ' O ' ' C ' ' A' ' 74' ' ' LEU . 62.5 t30 -89.26 -68.72 0.76 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.901 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' C ' ' O ' ' A' ' 73' ' ' ASN . 47.4 mt -32.35 -48.23 0.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -101.04 163.13 12.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 32.7 mm-40 -97.97 160.84 14.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.589 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 16.8 m95 -129.19 143.3 50.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 64.0 p -106.58 155.55 19.51 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.158 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.66 -46.16 2.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.093 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -48.73 -64.13 0.89 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 38.1 mt-30 -61.9 -47.2 86.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 31.6 mm -47.3 -56.23 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.12 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 11.9 tp-100 -50.54 -44.59 56.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 86.3 m -52.51 -45.36 66.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.4 mmm -50.7 -58.69 5.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.766 HE21 HD11 ' A' ' 23' ' ' LEU . 12.3 mp0 -58.51 -46.09 87.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.937 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -54.96 -62.74 1.46 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.8 tpt -76.03 -72.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.861 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.1 170.82 0.24 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.495 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.8 m120 -64.75 -45.77 85.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.888 0.375 . . . . 0.0 110.854 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.444 ' C ' ' O ' ' A' ' 90' ' ' ASN . 93.8 m -34.49 -67.48 0.14 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.155 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.477 ' O ' ' N ' ' A' ' 95' ' ' LEU . 29.8 mtpt -64.11 -52.22 60.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.428 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -35.88 -37.07 0.09 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 33.9 ttt85 -74.34 -44.36 52.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.477 ' N ' ' O ' ' A' ' 92' ' ' LYS . 14.4 mt -69.58 -7.61 40.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.942 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.536 ' CD2' ' CB ' ' A' ' 132' ' ' ALA . 0.5 OUTLIER -110.22 -63.2 1.41 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.95 179.86 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 127' ' ' TYR . 80.2 m-85 -73.86 -46.26 45.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 17.6 mt-10 -89.36 36.69 0.84 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.857 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -99.07 -41.72 7.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.095 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 42.2 m-20 -81.53 14.1 2.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.906 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.933 HD22 ' CD2' ' A' ' 105' ' ' PHE . 52.2 mt -83.11 143.41 45.5 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.727 . . . . 0.0 110.94 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 147.98 64.12 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.694 2.262 . . . . 0.0 112.323 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 -49.27 -42.45 40.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.858 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -101.75 43.38 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.933 ' CD2' HD22 ' A' ' 101' ' ' LEU . 0.4 OUTLIER -63.81 161.12 15.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.545 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 1.6 ppt_? -144.87 128.36 17.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.449 ' NH1' ' HB3' ' A' ' 107' ' ' ARG . 5.0 ptp180 -87.48 137.46 32.33 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.628 0.728 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 134.43 27.87 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.687 2.258 . . . . 0.0 112.33 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -88.92 -43.69 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.2 p -74.36 136.34 42.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.463 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.6 p-10 -50.41 -56.05 13.11 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.843 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.463 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.3 pt20 -32.74 -44.42 0.11 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -80.88 -57.68 3.43 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.093 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.452 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 94.3 t -37.77 -57.58 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.097 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 32.2 tt0 -43.63 -52.98 6.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.929 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 14.3 m-85 -60.49 -56.93 15.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.872 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.574 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 34.6 t80 -42.63 -55.3 3.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 -179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.427 HD11 ' SG ' ' A' ' 55' ' ' CYS . 73.8 mt -61.15 -35.51 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.129 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.461 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 41.2 mtt180 -65.04 -57.0 9.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.919 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.484 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 5.5 m-20 -70.45 -13.82 62.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.574 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 44.8 tttt -86.33 -45.3 11.36 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.886 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.561 ' CE2' HD13 ' A' ' 47' ' ' ILE . 51.7 m-85 -98.99 -51.95 3.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.936 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.461 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.1 tt0 -60.53 -71.18 0.14 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.903 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.484 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 0.0 OUTLIER -64.94 -24.07 67.41 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.889 179.984 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 38.3 mmtm 62.3 32.04 17.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.913 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.3 mtpt -51.95 -64.36 0.84 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.405 ' O ' ' O ' ' A' ' 97' ' ' TYR . 3.8 m-85 -82.81 36.92 0.51 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.936 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 66.9 t80 -99.55 118.86 37.04 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -91.85 104.65 17.07 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.863 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' ASN . 16.9 pttp -75.52 -41.69 54.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' LYS . 5.9 t-20 -37.83 -45.39 0.83 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.872 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.536 ' CB ' ' CD2' ' A' ' 96' ' ' LEU . . . -37.18 -44.64 0.58 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.136 179.85 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.695 HG22 ' O ' ' A' ' 133' ' ' ILE . 49.8 mm 33.2 54.91 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.144 179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -128.28 18.96 6.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 2.8 pp -57.24 170.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.152 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 39.9 t -110.59 -55.82 2.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -129.23 118.45 2.68 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.503 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -179.66 3.05 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.668 2.246 . . . . 0.0 112.317 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 52.9 p -152.81 161.49 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.882 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 49.3 m -76.84 143.99 39.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.82 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.523 -179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.3 p -168.78 125.0 0.96 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.728 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -140.65 160.28 40.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.815 -179.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.31 115.47 1.01 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.468 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.4 m -76.1 100.92 5.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.879 0.371 . . . . 0.0 110.857 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.5 t -100.14 41.66 1.15 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.12 164.81 12.11 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.441 ' HE3' ' N ' ' A' ' 8' ' ' LYS . 0.0 OUTLIER -97.71 -57.62 2.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.762 0.315 . . . . 0.0 110.867 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -120.35 42.7 2.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.131 179.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 8.5 mt-30 -75.19 -49.41 19.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.932 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 21.4 mmtt -56.35 -40.75 75.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -43.82 -61.56 1.39 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 9.8 m-80 -54.14 164.5 0.63 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.865 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -133.25 78.51 1.79 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.911 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -97.13 108.98 21.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.931 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.803 ' NE2' ' HB2' ' A' ' 79' ' ' ALA . 6.2 m170 -54.37 -63.73 1.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.862 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.446 ' C ' ' O ' ' A' ' 16' ' ' HIS . 51.9 mm-40 -34.18 -62.61 0.32 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.9 tp -50.96 -52.73 39.57 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.508 HD12 ' HA ' ' A' ' 16' ' ' HIS . 36.0 mt -49.56 -59.46 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.153 179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 31.5 mt -45.55 -41.67 10.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.964 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 11.6 t -72.51 -36.97 68.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.833 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -56.34 -41.45 76.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.886 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.746 HD11 HE21 ' A' ' 86' ' ' GLN . 14.8 mt -63.68 -51.18 66.21 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.856 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.605 HD21 ' CD1' ' A' ' 50' ' ' PHE . 57.4 mt -52.07 -49.46 63.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.3 mtp85 -41.11 -42.79 2.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.852 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -55.02 140.42 37.77 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.886 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.45 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 17.0 tt0 -55.99 -34.85 66.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -62.27 -17.69 59.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.872 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.4 m-20 -126.1 21.17 7.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.45 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 16.3 mmtp -78.67 -22.27 47.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.913 179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 20.4 m-85 -138.38 158.98 43.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.904 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.434 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 14.7 t -44.45 155.54 0.09 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.84 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -87.43 1.09 54.41 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.099 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -126.27 -72.6 0.65 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.843 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.0 p -82.42 -2.11 52.14 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.434 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 16.2 mm-40 47.37 42.99 14.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.62 176.71 3.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.126 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 17.7 tttm -95.69 105.64 17.66 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.958 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.455 ' C ' ' H ' ' A' ' 41' ' ' ARG . . . 107.94 63.42 0.57 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.473 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.513 ' O ' ' C ' ' A' ' 41' ' ' ARG . 53.8 Cg_endo -69.79 18.97 0.19 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.726 2.284 . . . . 0.0 112.317 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.581 ' O ' HG21 ' A' ' 72' ' ' VAL . 13.3 mmt180 -27.18 -76.79 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.866 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.405 ' O ' ' O ' ' A' ' 40' ' ' PRO . 65.1 m95 -45.78 152.88 0.31 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.519 ' HB2' ' CD1' ' A' ' 50' ' ' PHE . . . -156.48 147.44 22.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.074 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.61 87.32 3.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.47 ' CD1' ' CD ' ' A' ' 70' ' ' LYS . 27.5 p-90 -46.11 -40.74 11.37 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.911 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.472 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 26.7 t30 -46.55 -40.82 13.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.552 HD13 ' CE2' ' A' ' 122' ' ' TYR . 88.1 mt -97.34 -48.62 12.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.101 179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.1 41.7 1.37 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.502 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.408 ' CG1' ' HB2' ' A' ' 93' ' ' ALA . 26.1 m -141.19 155.2 21.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.832 0.348 . . . . 0.0 111.161 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.605 ' CD1' HD21 ' A' ' 24' ' ' LEU . 98.6 m-85 -98.79 119.03 36.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.909 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.404 HD12 ' HA ' ' A' ' 56' ' ' ALA . 22.6 pt -121.16 166.44 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.097 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 31.9 p -80.91 -175.72 5.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.871 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.443 HG23 ' N ' ' A' ' 54' ' ' ARG . 2.8 tp -73.49 -42.03 56.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 7.3 tmm_? -55.21 -66.33 0.43 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.86 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.855 ' HA ' HD12 ' A' ' 58' ' ' ILE . 94.3 m -52.28 -47.57 65.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.797 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -39.34 -45.75 1.5 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.096 179.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -56.06 -37.97 73.93 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.466 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.855 HD12 ' HA ' ' A' ' 55' ' ' CYS . 9.2 mt -67.43 -40.85 85.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 111.178 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.503 ' HB2' ' CG2' ' A' ' 69' ' ' VAL . 9.3 m-70 -55.95 -46.6 78.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 17.1 mtm180 -53.15 -45.5 68.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 62' ' ' LEU . 97.6 m-20 -52.0 -50.96 60.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.489 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 17.8 mt -36.9 -53.77 0.94 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.91 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.434 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 132.86 132.62 3.31 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.894 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.9 m -40.86 -34.28 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.857 0.361 . . . . 0.0 111.147 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.563 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.9 p-80 -66.87 -40.38 87.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.833 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.563 HG13 ' CD2' ' A' ' 65' ' ' HIS . 25.1 mt -79.62 -55.8 8.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.128 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.472 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 1.2 t -143.78 154.21 43.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 15.5 mtt180 -133.22 98.19 4.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.797 HG11 ' HB1' ' A' ' 56' ' ' ALA . 58.7 t -74.65 139.24 19.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.149 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.504 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 11.4 ptmm? -164.58 134.39 3.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.876 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -51.61 165.39 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.867 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.581 HG21 ' O ' ' A' ' 41' ' ' ARG . 2.7 t -90.48 -40.96 13.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.527 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.4 OUTLIER -104.81 -53.7 2.63 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.931 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.527 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 38.1 mt -49.12 -33.81 12.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.912 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -94.6 155.92 16.67 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.854 179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 29.4 tt0 -90.06 130.41 36.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.504 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 18.1 m95 -117.23 168.2 10.53 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.406 ' O ' ' C ' ' A' ' 79' ' ' ALA . 46.7 p -133.54 138.07 45.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.186 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.803 ' HB2' ' NE2' ' A' ' 16' ' ' HIS . . . -36.41 -44.1 0.41 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -53.65 -55.22 27.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 11.3 mm-40 -63.02 -37.04 85.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 34.7 mm -50.03 -56.7 3.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.117 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -40.6 -49.13 2.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.95 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 85' ' ' MET . 93.7 m -49.64 -58.75 4.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.485 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 83.8 mmm -34.33 -59.43 0.45 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.872 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.746 HE21 HD11 ' A' ' 23' ' ' LEU . 19.6 mp0 -63.08 -48.51 78.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.928 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -42.91 -53.6 4.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.1 tpt -86.6 -73.97 0.44 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.871 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 62.83 167.06 0.7 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.505 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' O ' ' C ' ' A' ' 91' ' ' THR . 1.8 m120 -62.17 -44.37 96.76 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 0.0 110.907 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.401 ' C ' ' O ' ' A' ' 90' ' ' ASN . 59.2 m -37.52 -66.08 0.27 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.133 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 42.7 mttm -63.13 -50.75 69.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' HB2' ' CG1' ' A' ' 49' ' ' VAL . . . -38.81 -44.32 1.02 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.074 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 41.6 ttt-85 -69.62 -43.93 71.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.869 -179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.8 mt -72.55 -4.87 33.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.536 HD11 ' CE1' ' A' ' 128' ' ' TYR . 0.4 OUTLIER -110.16 -68.49 0.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.451 ' CZ ' ' CE2' ' A' ' 122' ' ' TYR . 83.4 m-85 -76.7 -44.77 32.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 -179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.691 ' HG3' HD11 ' A' ' 101' ' ' LEU . 23.2 tt0 -89.47 36.25 0.83 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.89 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -114.92 -34.13 5.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.124 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.453 ' ND2' ' HB2' ' A' ' 129' ' ' ASP . 18.8 m-80 -90.9 19.08 5.86 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.862 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.691 HD11 ' HG3' ' A' ' 98' ' ' GLU . 18.4 mt -63.83 154.87 79.64 Favored Pre-proline 0 C--N 1.327 -0.377 0 CA-C-O 121.577 0.703 . . . . 0.0 110.913 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 153.78 68.64 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.677 2.251 . . . . 0.0 112.348 179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -59.12 -25.9 64.24 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.887 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 13.4 p30 -117.96 44.12 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 -179.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . . . . . . . . . 15.0 t80 -63.1 144.34 56.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.868 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.8 ptt85 -134.88 103.6 5.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.898 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 39.0 ttp180 -52.93 117.5 11.37 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.628 0.728 . . . . 0.0 110.853 -179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.69 139.51 40.65 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.754 2.303 . . . . 0.0 112.373 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 11.0 mm-40 -105.43 -37.91 6.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.913 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 82.3 p -85.06 128.75 34.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.144 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.438 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.8 m-20 -41.59 -47.24 3.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 111' ' ' ASP . 11.1 tt0 -34.82 -43.8 0.2 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.968 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -90.18 -52.04 5.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.122 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . . . . . . . . . 59.8 t -42.65 -54.76 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.125 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.448 ' HA ' HG21 ' A' ' 58' ' ' ILE . 17.4 tt0 -42.89 -42.97 3.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.48 ' O ' ' N ' ' A' ' 119' ' ' ARG . 41.3 m-85 -76.24 -58.57 3.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.57 ' CZ ' ' HE3' ' A' ' 121' ' ' LYS . 25.9 t80 -34.12 -51.93 0.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 48.9 mt -66.56 -40.04 85.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.115 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.496 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.9 mtp-105 -64.25 -60.19 3.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.469 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 3.6 m-20 -65.05 -11.47 39.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.57 ' HE3' ' CZ ' ' A' ' 117' ' ' PHE . 10.2 ttmt -89.29 -42.96 11.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.552 ' CE2' HD13 ' A' ' 47' ' ' ILE . 52.0 m-85 -106.73 -48.6 3.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.934 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.496 ' N ' ' O ' ' A' ' 119' ' ' ARG . 13.3 tt0 -59.59 -57.69 11.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.903 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.469 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 35.8 mmtm -80.34 -23.24 40.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.889 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 31.3 mmtm 63.04 31.1 16.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.905 179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 30.6 mtpt -54.88 -66.91 0.32 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.894 179.877 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.444 ' C ' ' HB2' ' A' ' 100' ' ' ASN . 0.5 OUTLIER -83.95 35.9 0.54 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.94 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.536 ' CE1' HD11 ' A' ' 96' ' ' LEU . 55.5 t80 -91.48 119.88 31.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.913 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.453 ' HB2' ' ND2' ' A' ' 100' ' ' ASN . 5.3 t70 -102.18 111.65 24.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.877 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 13.4 pttm -88.42 -29.88 19.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.861 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -49.66 -42.56 45.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -49.09 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.108 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 95.6 mt -40.67 -57.03 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -43.74 129.15 5.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 5.4 mp -96.29 140.89 16.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.135 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 1.8 t -76.12 52.74 0.75 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.851 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -172.43 -167.2 32.13 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.43 ' O ' ' C ' ' A' ' 139' ' ' SER . 54.1 Cg_endo -69.75 -24.13 30.05 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.37 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 138' ' ' PRO . 24.8 m -35.82 142.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.849 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 67.3 p -135.9 135.56 39.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.851 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.462 -179.991 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.374 0 N-CA-C 112.528 -0.229 . . . . 0.0 112.528 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.8 t -156.42 151.22 25.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.904 0.383 . . . . 0.0 110.879 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.7 p -66.09 160.54 23.7 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.889 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.0 -105.1 2.7 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.494 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 88.3 p -73.78 173.24 10.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.885 0.374 . . . . 0.0 110.823 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 m -85.99 101.37 12.85 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.842 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -175.33 84.41 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 46.0 mtpt -54.18 -60.05 3.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.837 0.351 . . . . 0.0 110.903 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 48.97 41.23 18.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.05 179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 65.7 tt0 -92.34 -47.16 7.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.41 ' O ' ' C ' ' A' ' 12' ' ' LEU . 17.7 tptm -78.92 -58.79 3.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.41 ' C ' ' O ' ' A' ' 11' ' ' LYS . 7.7 tp -37.49 -41.41 0.45 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.926 179.892 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -78.04 97.72 5.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -87.92 42.13 1.04 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -86.15 109.03 18.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.461 ' HB3' ' CD1' ' A' ' 82' ' ' ILE . 10.0 m-70 -50.4 -71.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 16' ' ' HIS . 3.3 mm100 -35.77 -69.5 0.1 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.914 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.401 ' CD2' ' HE3' ' A' ' 22' ' ' LYS . 4.0 tt -39.64 -54.97 1.96 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.926 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 79.5 mt -49.83 -51.85 14.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.125 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 43.3 mt -51.18 -38.8 54.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.926 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -67.66 -46.04 73.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.401 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 49.0 mttt -46.58 -48.87 19.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.938 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.86 HD11 ' OE1' ' A' ' 86' ' ' GLN . 16.8 mt -54.15 -57.26 11.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.515 HD23 ' HB2' ' A' ' 29' ' ' ASN . 46.4 mt -58.64 -20.09 44.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 90.1 mtt180 -106.33 37.81 2.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 27.2 mm-40 -130.65 31.79 4.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 6.4 tt0 43.87 25.03 0.08 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 89.6 m-20 -111.21 -43.06 3.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.854 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.515 ' HB2' HD23 ' A' ' 24' ' ' LEU . 1.0 OUTLIER -113.19 29.48 7.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.892 -179.903 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 14.3 mmtm -53.47 -32.26 49.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.907 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.444 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 15.5 m-85 -134.41 174.83 10.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.959 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 30.0 t -57.24 163.84 2.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.849 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.55 -2.89 57.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.11 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -125.58 -71.51 0.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.846 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.433 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 25.1 p -79.19 -4.41 50.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 14.4 mm-40 50.09 40.82 22.52 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.433 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -69.29 153.83 43.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.098 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 10.3 ttpt -85.92 114.43 22.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.881 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 98.82 58.32 0.94 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.489 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 82.9 0.72 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.693 2.262 . . . . 0.0 112.363 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.419 ' O ' ' CG2' ' A' ' 72' ' ' VAL . 0.0 OUTLIER -62.61 -71.45 0.16 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.795 -179.914 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 61.9 m95 -55.98 167.2 0.63 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.926 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.534 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -163.63 127.57 2.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.136 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 3.3 m -82.4 112.44 19.36 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.589 ' CE3' ' OE1' ' A' ' 81' ' ' GLN . 56.3 p-90 -72.18 -44.63 62.73 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.916 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t30 -48.29 -45.16 34.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 80.0 mt -85.75 -41.0 15.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 96.86 39.34 4.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.47 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.9 m -141.03 163.42 21.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.848 0.356 . . . . 0.0 111.107 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.52 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 96.4 m-85 -102.96 115.65 31.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.897 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 21.6 pt -119.76 159.57 20.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.137 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -74.87 -178.63 3.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.872 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.438 HG23 ' N ' ' A' ' 54' ' ' ARG . 17.1 tt -72.27 -41.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.148 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.495 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.8 tmm_? -55.86 -65.28 0.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 99.0 m -49.43 -50.15 41.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.647 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -40.11 -50.68 2.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.108 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -44.47 -49.4 8.48 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.474 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.502 ' H ' HD12 ' A' ' 58' ' ' ILE . 4.9 mp -64.22 -43.81 97.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 111.088 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -49.38 -47.18 47.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.1 mtp180 -56.28 -45.67 80.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' O ' ' C ' ' A' ' 62' ' ' LEU . 44.0 m-20 -53.95 -51.24 64.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.876 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.536 ' O ' HD12 ' A' ' 66' ' ' ILE . 31.9 mt -33.35 -52.43 0.37 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.931 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.05 137.01 3.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.471 179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 19.2 m -52.48 -27.22 10.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.867 0.365 . . . . 0.0 111.136 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.413 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.8 p-80 -78.08 -23.83 47.86 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.546 HD13 ' HG3' ' A' ' 123' ' ' GLU . 39.3 mt -91.35 -58.42 3.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.15 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.0 m -157.68 139.0 13.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 13.7 mtp180 -106.35 171.62 7.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.865 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.647 HG11 ' HB1' ' A' ' 56' ' ' ALA . 86.7 t -138.93 142.24 34.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.124 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.532 ' NZ ' ' NE1' ' A' ' 77' ' ' TRP . 13.9 ptmm? -169.25 149.58 4.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.909 179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -59.28 171.94 0.69 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.88 -179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.534 HG22 ' HB3' ' A' ' 43' ' ' ALA . 21.5 t -101.18 -30.34 3.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.067 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.1 t30 -119.29 -52.61 2.27 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.854 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.551 HD12 ' H ' ' A' ' 74' ' ' LEU . 4.3 mp -46.21 -28.61 1.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 91.9 m-20 -107.66 144.2 35.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 34.2 tt0 -83.09 121.18 26.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.532 ' NE1' ' NZ ' ' A' ' 70' ' ' LYS . 11.5 m0 -97.4 170.08 9.31 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.963 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 68.3 p -126.69 141.19 51.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.129 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -38.13 -45.69 0.96 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.12 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.5 mt-10 -54.16 -45.17 71.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.868 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.589 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 13.8 mm-40 -73.42 -41.41 63.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' HIS . 50.0 mm -49.69 -62.6 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.445 ' C ' ' O ' ' A' ' 82' ' ' ILE . 15.4 tp60 -34.27 -54.72 0.51 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 76.1 m -40.9 -59.75 1.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.857 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.478 ' O ' ' N ' ' A' ' 89' ' ' GLY . 94.2 mmm -36.11 -57.95 0.68 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.86 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.86 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.9 mp0 -63.22 -53.9 45.78 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.889 -179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 57.5 m-20 -43.66 -43.75 6.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.2 tpt -99.64 -74.64 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.478 ' N ' ' O ' ' A' ' 85' ' ' MET . . . 63.73 167.37 1.06 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.478 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.401 ' CG ' ' OD1' ' A' ' 29' ' ' ASN . 3.3 m-20 -62.87 -45.89 90.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.373 . . . . 0.0 110.876 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 16.0 m -38.53 -65.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 43.6 mttp -60.93 -48.34 82.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.24 -38.08 3.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.868 HH11 HD23 ' A' ' 95' ' ' LEU . 0.4 OUTLIER -74.24 -37.32 63.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.844 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.868 HD23 HH11 ' A' ' 94' ' ' ARG . 11.5 mt -82.63 -3.34 56.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -109.67 -69.47 0.86 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.931 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.457 ' CE2' ' CD1' ' A' ' 122' ' ' TYR . 88.9 m-85 -70.08 -50.09 44.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.907 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 101' ' ' LEU . 36.0 mt-10 -86.87 36.76 0.73 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.893 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.4 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -97.8 -31.86 12.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.09 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 37.8 m-80 -97.31 20.68 11.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.909 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.597 HD12 ' HB3' ' A' ' 98' ' ' GLU . 16.4 mt -68.61 145.41 97.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.574 0.702 . . . . 0.0 110.981 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 146.69 61.16 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.698 2.266 . . . . 0.0 112.356 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 16.3 tp10 -49.48 -42.4 43.17 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.866 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.46 40.34 1.23 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.908 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.469 ' CD1' HD22 ' A' ' 101' ' ' LEU . 16.1 t80 -62.75 154.59 29.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.432 ' N ' ' CD1' ' A' ' 105' ' ' PHE . 68.5 ttt180 -147.9 119.39 7.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.858 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.418 ' HG3' ' CE2' ' A' ' 105' ' ' PHE . 9.9 mtm-85 -67.06 139.02 95.17 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.618 0.723 . . . . 0.0 110.885 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.468 ' CG ' ' HA ' ' A' ' 114' ' ' VAL . 53.7 Cg_endo -69.84 136.01 31.7 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.319 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 23.3 mm-40 -103.59 -37.13 7.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.441 ' O ' ' C ' ' A' ' 111' ' ' ASP . 5.9 t -90.03 125.82 35.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.143 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 110' ' ' THR . 3.5 t0 -34.28 -54.43 0.51 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.865 179.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.4 mt-30 -35.51 -64.78 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -62.27 -53.73 50.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.123 179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.495 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 86.2 t -38.96 -54.3 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.17 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 17.3 tt0 -49.14 -53.49 20.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.854 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 28.5 m-85 -56.98 -51.37 69.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.891 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.542 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 71.2 t80 -46.6 -41.57 14.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.882 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 65.9 mt -81.9 -33.05 11.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.163 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 20.0 mtp180 -73.78 -7.45 52.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -124.92 -15.43 6.41 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.542 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 17.8 tttp -87.82 -45.6 10.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.92 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.457 ' CD1' ' CE2' ' A' ' 97' ' ' TYR . 33.8 m-85 -98.38 -50.01 4.47 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.933 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.546 ' HG3' HD13 ' A' ' 66' ' ' ILE . 3.4 tt0 -60.87 -70.95 0.15 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.865 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 7.1 mtpm? -65.06 -21.19 66.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 42.2 mmtt 60.25 39.95 18.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 11.3 mtpp -61.63 -72.74 0.11 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.419 ' CD2' HD23 ' A' ' 101' ' ' LEU . 7.0 m-85 -66.94 -12.96 61.22 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.883 -179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.537 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 83.8 t80 -53.69 120.0 5.66 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.956 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.407 ' CG ' ' OD1' ' A' ' 131' ' ' ASN . 10.2 t70 -93.41 115.02 27.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -96.72 -15.37 21.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.407 ' OD1' ' CG ' ' A' ' 129' ' ' ASP . 2.3 p-10 -71.22 -33.1 69.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.859 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -44.89 -41.48 7.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.766 HG22 ' O ' ' A' ' 133' ' ' ILE . 18.0 mt -95.09 63.21 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.071 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 135' ' ' ILE . . . -88.91 20.55 3.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.071 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 134' ' ' ALA . 20.1 pt -36.45 153.69 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 4.1 m 57.56 45.3 19.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.848 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -141.09 134.98 6.63 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.818 -0.706 . . . . 0.0 112.482 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -26.32 27.88 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.73 2.287 . . . . 0.0 112.366 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -61.77 111.35 1.83 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.85 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 16.0 t -50.83 -55.23 17.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.825 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.503 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.0 t -146.79 128.36 15.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.914 0.388 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.1 t -167.12 144.19 4.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.856 -179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.28 160.82 13.61 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.462 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.1 t -143.16 147.53 35.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.88 0.371 . . . . 0.0 110.87 -179.73 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.2 t -90.52 163.06 14.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -98.72 -128.34 6.13 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.492 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 25.4 ttmt 45.27 40.06 4.82 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.859 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -109.89 -55.02 2.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.091 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.462 ' NE2' ' HG2' ' A' ' 86' ' ' GLN . 27.0 mt-30 -51.06 -50.51 58.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 10' ' ' GLN . 3.6 mmmp? -38.09 -36.27 0.2 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.898 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.3 tp -72.97 -51.66 17.51 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.909 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.405 ' OD1' ' HA ' ' A' ' 10' ' ' GLN . 12.0 p30 -83.0 134.11 35.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 15' ' ' GLN . 13.3 tt0 -120.2 -44.14 2.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.404 ' C ' ' O ' ' A' ' 14' ' ' GLU . 2.3 pm0 -37.4 100.07 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.936 -179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.451 ' HA ' HD12 ' A' ' 19' ' ' ILE . 40.0 m-70 -47.36 -59.95 2.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.845 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' HIS . 13.7 mp0 -33.88 -62.34 0.31 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.868 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.452 HD21 ' HE3' ' A' ' 22' ' ' LYS . 11.1 tp -46.71 -67.02 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.912 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.451 HD12 ' HA ' ' A' ' 16' ' ' HIS . 43.4 mt -35.04 -68.55 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.163 179.846 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.546 HD13 HG12 ' A' ' 72' ' ' VAL . 10.6 mt -42.94 -45.25 4.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 29.2 t -64.76 -38.87 92.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.452 ' HE3' HD21 ' A' ' 18' ' ' LEU . 36.4 mttt -59.79 -36.37 76.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.884 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.618 HD11 HE21 ' A' ' 86' ' ' GLN . 42.3 mt -67.55 -55.05 15.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.899 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.462 HD21 ' CD2' ' A' ' 50' ' ' PHE . 56.9 mt -48.09 -43.27 30.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 25.9 mtt180 -45.96 -33.64 3.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.898 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 44.8 mm-40 -66.21 137.69 57.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -53.6 -31.68 48.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.883 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . 0.424 ' OD1' ' N ' ' A' ' 91' ' ' THR . 2.5 t70 -67.35 -24.28 65.7 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -117.94 13.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 46.5 mttt -77.4 -24.19 50.54 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.908 179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 7.7 m-85 -132.48 157.71 43.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.923 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.41 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.5 t -47.05 161.48 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.901 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.07 2.75 55.26 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -129.07 -57.2 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.612 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.2 p -100.67 9.56 42.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.934 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' CYS . 8.3 mt-10 37.34 38.68 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.612 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.77 173.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.087 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.8 mttm -100.81 103.88 15.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.88 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.9 63.24 1.1 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.46 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 81.44 0.81 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -76.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.897 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 55.7 m95 -46.06 167.75 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.946 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.451 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -161.4 148.38 14.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.137 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.1 t -109.92 106.82 16.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.839 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.591 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 51.5 p-90 -68.1 -53.93 21.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.93 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.457 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 5.7 t30 -35.04 -45.04 0.26 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.887 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.6 HD13 ' CE1' ' A' ' 122' ' ' TYR . 79.0 mt -90.43 -45.28 14.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.132 179.89 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.08 46.81 1.54 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.44 179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.427 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.9 m -152.02 150.36 13.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 0.0 111.105 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.462 ' CD2' HD21 ' A' ' 24' ' ' LEU . 88.4 m-85 -92.63 122.27 34.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.842 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.3 pt -124.85 157.56 33.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.144 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.0 p -72.68 173.04 9.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.904 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.557 HG23 ' N ' ' A' ' 54' ' ' ARG . 8.6 tt -61.59 -49.06 85.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.172 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.557 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -50.61 -59.7 3.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.854 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 56.3 m -56.15 -45.06 79.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.878 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.64 -54.1 10.23 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.063 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -43.82 -51.9 6.83 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.514 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.533 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -61.14 -38.6 80.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.865 0.364 . . . . 0.0 111.129 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.9 m-70 -58.84 -35.62 73.21 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.804 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' O ' ' A' ' 56' ' ' ALA . 39.7 mtp180 -62.4 -46.94 86.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 -179.875 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -54.7 -48.35 72.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.855 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.607 ' O ' HD12 ' A' ' 66' ' ' ILE . 18.5 mt -32.92 -49.04 0.22 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 130.89 142.89 5.18 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.492 179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.1 m -56.93 -15.19 2.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.869 0.366 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.499 ' CD2' HG13 ' A' ' 66' ' ' ILE . 33.3 p-80 -88.51 -38.94 14.56 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.881 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.607 HD12 ' O ' ' A' ' 62' ' ' LEU . 20.1 mt -76.15 -49.95 23.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.157 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 t -166.1 142.62 5.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 45.6 mtt180 -113.15 150.51 32.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.84 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.878 HG11 ' HB1' ' A' ' 56' ' ' ALA . 41.1 t -124.58 137.06 58.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.139 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.4 ptpp? -159.1 139.73 12.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.877 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.455 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 14.3 m -54.16 152.7 5.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.833 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.546 HG12 HD13 ' A' ' 20' ' ' LEU . 2.7 t -81.33 -51.71 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.087 -0.506 . . . . 0.0 111.15 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -95.25 -58.09 2.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.909 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 56.2 mt -42.42 -42.03 3.09 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.935 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -99.3 159.96 14.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.89 179.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 19.5 mm-40 -93.76 156.67 16.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.902 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.591 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 19.0 m95 -130.19 173.69 10.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.411 ' O ' ' C ' ' A' ' 79' ' ' ALA . 22.7 p -136.67 144.99 44.26 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.178 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.82 -45.4 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.105 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 mm-40 -48.59 -53.85 16.81 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.855 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.485 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.6 mp0 -72.25 -48.21 44.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.93 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.49 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 14.2 mm -44.95 -53.57 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.121 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -51.68 -43.27 62.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.943 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' MET . 30.5 t -53.37 -57.78 9.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.879 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' CYS . 87.6 mmm -35.38 -53.9 0.65 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.84 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.618 HE21 HD11 ' A' ' 23' ' ' LEU . 7.0 mp0 -68.66 -50.13 53.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.95 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -43.6 -46.07 7.02 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.896 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 6.5 tpt -94.34 -73.45 0.57 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.839 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.76 156.72 0.21 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.49 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.46 ' O ' ' C ' ' A' ' 91' ' ' THR . 2.4 m120 -53.29 -52.02 60.44 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.888 0.375 . . . . 0.0 110.921 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.46 ' C ' ' O ' ' A' ' 90' ' ' ASN . 31.3 m -33.25 -63.65 0.23 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.168 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 30.5 mtpt -64.17 -50.71 67.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.427 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -41.96 -33.89 0.61 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.068 179.849 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 9.0 ttm180 -76.41 -48.56 19.35 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.864 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 20.7 mt -66.58 -6.8 16.53 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.941 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.554 ' CD2' ' HB3' ' A' ' 132' ' ' ALA . 0.6 OUTLIER -110.85 -62.84 1.48 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.942 179.853 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.41 ' CE1' ' CD1' ' A' ' 122' ' ' TYR . 77.3 m-85 -73.93 -48.0 33.72 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.897 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.467 ' HG2' HD11 ' A' ' 101' ' ' LEU . 18.1 mt-10 -86.94 36.33 0.72 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.881 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -107.11 -34.85 7.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.106 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 31.2 m-20 -95.91 23.05 6.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.864 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.543 HD13 ' CD2' ' A' ' 105' ' ' PHE . 23.1 mt -73.62 155.74 89.02 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.636 0.732 . . . . 0.0 110.899 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 160.16 50.73 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.725 2.284 . . . . 0.0 112.316 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -57.74 -46.03 85.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.919 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -100.91 43.89 1.04 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.543 ' CD2' HD13 ' A' ' 101' ' ' LEU . 9.3 t80 -60.32 144.04 51.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 4.5 tpt180 -143.53 130.24 20.29 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.7 mtm-85 -69.71 126.84 92.77 Favored Pre-proline 0 C--N 1.328 -0.353 0 CA-C-O 121.59 0.71 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 137.79 36.33 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.718 2.279 . . . . 0.0 112.338 -179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 8.0 tp-100 -101.83 -40.16 7.06 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.916 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.432 ' O ' HG23 ' A' ' 114' ' ' VAL . 72.7 p -76.28 138.24 40.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.204 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 32.8 t0 -54.59 -44.26 72.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.4 tp-100 -43.81 -49.94 7.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.915 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -74.67 -58.28 3.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.093 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.432 HG23 ' O ' ' A' ' 110' ' ' THR . 86.4 t -39.93 -58.45 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.142 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 14.5 tm-20 -40.69 -53.41 2.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.894 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.432 ' O ' ' N ' ' A' ' 119' ' ' ARG . 18.3 m-85 -67.88 -58.46 4.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.894 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.498 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 11.8 t80 -36.61 -50.04 0.79 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.19 -40.77 89.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.155 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.501 ' O ' ' N ' ' A' ' 123' ' ' GLU . 6.6 mtp-105 -65.38 -59.06 4.43 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.885 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.426 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 7.6 m-20 -64.3 -17.96 64.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.826 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.548 ' HD3' ' CE2' ' A' ' 122' ' ' TYR . 43.2 tttt -85.43 -44.49 12.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.924 179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.6 ' CE1' HD13 ' A' ' 47' ' ' ILE . 72.3 m-85 -99.98 -53.38 3.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.937 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.601 ' HG3' HD13 ' A' ' 66' ' ' ILE . 6.0 tt0 -57.78 -60.97 2.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.89 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.426 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.1 mmmt -76.25 -17.61 59.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.914 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.529 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 27.7 mmtm 57.78 27.95 15.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 15.8 mtpp -47.76 -66.42 0.41 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.934 179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 97' ' ' TYR . 1.3 m-85 -83.27 37.78 0.57 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.529 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 34.6 t80 -96.73 121.55 38.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.953 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -93.76 58.91 2.74 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.881 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' ASN . 21.1 pttm -43.82 -39.41 3.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' LYS . 1.8 m120 -37.41 -45.99 0.75 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.554 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -44.42 -57.93 3.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.085 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.5 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 9.4 mt -59.58 -39.14 78.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.146 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.5 ' HB3' ' O ' ' A' ' 133' ' ' ILE . . . 72.28 30.23 2.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.095 179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.465 ' C ' ' O ' ' A' ' 134' ' ' ALA . 3.6 mp -33.06 126.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.124 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 67.1 p -45.67 118.28 1.75 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.852 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -38.12 144.77 0.18 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 149.31 66.54 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.671 2.248 . . . . 0.0 112.342 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 7.2 m -65.68 166.22 11.18 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.837 -179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 43.2 p -70.02 164.39 24.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.176 -0.791 . . . . 0.0 112.5 -179.963 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.7 m -78.91 147.06 33.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.852 0.358 . . . . 0.0 110.871 -179.74 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.6 p -80.43 -48.71 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.822 -179.771 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 115.24 -63.61 0.32 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.495 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -162.94 167.51 22.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.823 0.344 . . . . 0.0 110.872 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t 60.73 41.89 14.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.809 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 138.35 173.64 13.06 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.519 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 9' ' ' ALA . 18.1 tptt -164.42 115.83 1.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.762 0.315 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 8' ' ' LYS . . . -37.54 -59.36 0.79 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.095 179.841 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -44.27 -43.66 7.49 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 12' ' ' LEU . 0.0 OUTLIER -74.13 -58.95 2.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.888 179.932 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.401 ' C ' ' O ' ' A' ' 11' ' ' LYS . 25.2 tp -37.67 -54.31 1.2 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 46.2 m-80 -54.13 119.39 5.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.599 ' HB2' HD13 ' A' ' 18' ' ' LEU . 8.6 mt-10 -90.33 -42.45 10.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.59 HE21 HD12 ' A' ' 18' ' ' LEU . 6.0 pt20 -174.93 157.36 2.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.908 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.57 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 4.5 m-70 -53.68 -65.58 0.54 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' A' ' 16' ' ' HIS . 85.4 mm-40 -37.48 -51.03 1.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.959 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.599 HD13 ' HB2' ' A' ' 14' ' ' GLU . 2.4 tt -57.25 -63.65 1.15 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.924 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.566 HD12 ' HA ' ' A' ' 16' ' ' HIS . 24.1 mt -35.43 -63.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.594 HD13 HG12 ' A' ' 72' ' ' VAL . 41.8 mt -35.84 -46.92 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 20.2 t -63.89 -42.57 97.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.538 ' HE3' HD22 ' A' ' 18' ' ' LEU . 14.8 mttm -57.44 -35.22 69.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.935 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.775 HD11 HE21 ' A' ' 86' ' ' GLN . 24.8 mt -68.83 -50.37 50.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.8 HD21 ' CD2' ' A' ' 50' ' ' PHE . 40.6 mt -54.59 -46.42 73.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 53.8 mtp180 -45.63 -39.27 7.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.901 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 72.8 mm-40 -58.82 130.85 48.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.911 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.411 ' CD ' ' H ' ' A' ' 27' ' ' GLU . 1.2 pm0 -47.84 -28.73 2.74 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 59.5 m-20 -65.77 -36.7 84.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.477 ' HB3' ' CD1' ' A' ' 50' ' ' PHE . 1.5 m-20 -115.18 29.51 7.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 23.6 mttp -84.01 -33.83 24.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.897 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.44 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 2.3 m-85 -123.87 157.94 33.02 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.924 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.471 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.7 t -43.62 161.11 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -93.08 0.35 57.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.142 179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -126.7 -56.24 1.39 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.859 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.473 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 21.5 p -100.76 5.06 43.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.471 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 7.9 pt-20 40.58 42.59 1.39 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.473 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -61.28 165.32 4.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.105 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.7 tttm -92.08 105.46 17.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 92.43 60.3 1.24 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.488 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.488 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.8 Cg_endo -69.75 84.27 0.66 Allowed 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.698 2.265 . . . . 0.0 112.377 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.492 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.1 OUTLIER -58.69 -75.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.462 ' HE1' HD12 ' A' ' 53' ' ' ILE . 72.8 m95 -46.2 164.27 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.948 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.506 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -160.83 121.49 2.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.071 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 m -79.77 97.13 6.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.864 -179.762 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.664 ' CE3' ' N ' ' A' ' 46' ' ' ASN . 61.6 p-90 -61.1 -50.65 72.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.91 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.664 ' N ' ' CE3' ' A' ' 45' ' ' TRP . 4.3 t30 -40.63 -43.53 1.94 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.877 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 96.8 mt -85.14 -47.91 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.118 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 106.79 44.79 1.27 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.484 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.459 HG12 ' HA ' ' A' ' 90' ' ' ASN . 35.7 m -154.46 164.67 1.45 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 111.135 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.8 ' CD2' HD21 ' A' ' 24' ' ' LEU . 97.4 m-85 -100.34 125.13 46.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.921 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.0 pt -128.17 155.65 39.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.12 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.1 p -74.4 170.28 15.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.462 HD12 ' HE1' ' A' ' 42' ' ' TRP . 8.7 tt -64.22 -34.53 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.134 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.503 ' O ' HD12 ' A' ' 58' ' ' ILE . 6.3 tmm_? -60.67 -53.06 62.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.844 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 74.7 m -64.42 -46.69 82.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.935 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.811 ' O ' HG21 ' A' ' 69' ' ' VAL . . . -42.95 -47.29 5.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.073 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -54.44 -42.41 75.14 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.509 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.952 HG23 ' OE2' ' A' ' 115' ' ' GLU . 4.5 mp -71.82 -32.59 45.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.864 0.364 . . . . 0.0 111.124 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -59.84 -45.6 91.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.808 179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.448 ' HB3' ' NH1' ' A' ' 60' ' ' ARG . 7.1 mtp-105 -48.71 -48.84 40.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.433 ' O ' ' C ' ' A' ' 62' ' ' LEU . 37.6 m-80 -49.06 -51.02 33.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.903 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.529 ' O ' HD12 ' A' ' 66' ' ' ILE . 18.9 mt -34.69 -53.58 0.54 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 133.15 139.95 4.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.456 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 33.4 m -49.51 -29.96 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.865 0.364 . . . . 0.0 111.134 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.574 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.2 p-80 -70.97 -33.91 70.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.83 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.586 HD13 ' HG3' ' A' ' 123' ' ' GLU . 13.9 mt -84.54 -45.39 17.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 17.0 t -165.5 145.81 6.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.483 ' HB2' ' CZ2' ' A' ' 45' ' ' TRP . 15.9 mtt180 -121.63 91.72 3.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.901 -179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.811 HG21 ' O ' ' A' ' 56' ' ' ALA . 72.9 t -55.25 128.11 14.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.141 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.547 ' HD2' ' CD1' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -152.35 142.4 22.23 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.94 179.89 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.42 ' O ' ' HG2' ' A' ' 70' ' ' LYS . 58.2 m -54.1 174.46 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.594 HG12 HD13 ' A' ' 20' ' ' LEU . 5.8 t -109.03 -48.46 7.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.108 179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -104.69 -36.25 7.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.877 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 58.9 mt -67.46 -31.12 71.07 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 11.9 m-20 -98.53 158.33 15.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.808 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -91.28 137.33 32.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.88 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.568 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 11.6 m0 -120.45 178.12 4.79 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 73.1 p -148.56 160.21 43.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.114 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -39.89 -43.33 1.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -51.82 -62.37 1.67 Allowed 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.927 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 8.6 mp0 -62.88 -45.16 93.84 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.927 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.407 HD13 ' HA ' ' A' ' 82' ' ' ILE . 26.2 mm -50.87 -61.0 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.15 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp60 -45.53 -44.62 12.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 2.0 t -50.95 -59.14 4.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 86.8 mmm -40.15 -50.53 2.66 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.9 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.775 HE21 HD11 ' A' ' 23' ' ' LEU . 19.5 mp0 -67.68 -45.23 75.79 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -56.45 -61.88 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -82.39 -72.77 0.43 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 59.64 171.95 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.494 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.459 ' HA ' HG12 ' A' ' 49' ' ' VAL . 1.5 m-20 -63.22 -41.76 99.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 0.0 110.884 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.0 m -40.22 -71.04 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.162 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 13.1 mptt -60.5 -46.49 89.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.95 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.434 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -42.31 -38.91 1.95 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.104 179.825 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 54.8 ttt180 -69.64 -46.31 66.46 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.838 -179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.725 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 17.6 mt -69.29 -10.31 57.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.933 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.402 HD22 ' HA ' ' A' ' 96' ' ' LEU . 0.4 OUTLIER -104.41 -68.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.883 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.675 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 97.2 m-85 -71.87 -46.02 59.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 30.4 mt-10 -92.12 36.94 0.98 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.831 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.725 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -102.26 -37.15 8.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.09 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 28.7 m-80 -88.66 17.19 5.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.906 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.628 HD22 ' CD1' ' A' ' 105' ' ' PHE . 24.9 mt -76.81 150.19 81.27 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.639 0.733 . . . . 0.0 110.911 179.925 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.69 157.69 59.63 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.713 2.275 . . . . 0.0 112.389 179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.1 pt-20 -54.46 -50.39 67.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -95.26 41.56 1.1 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.907 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.628 ' CD1' HD22 ' A' ' 101' ' ' LEU . 8.9 t80 -59.97 148.64 34.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 33.6 mtt-85 -140.83 138.12 33.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 27.2 mtt-85 -83.86 138.31 40.45 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.577 0.703 . . . . 0.0 110.871 -179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 130.25 19.03 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.656 2.237 . . . . 0.0 112.34 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -91.43 -39.79 11.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 70.6 p -82.33 131.82 35.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.153 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.403 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -46.07 -48.36 17.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.874 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 111' ' ' ASP . 0.7 OUTLIER -37.32 -44.96 0.64 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.453 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -80.16 -61.03 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.171 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.453 ' C ' ' O ' ' A' ' 113' ' ' ALA . 54.7 t -33.83 -61.23 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.148 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.952 ' OE2' HG23 ' A' ' 58' ' ' ILE . 3.8 tp10 -40.86 -53.41 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.875 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.426 ' O ' ' N ' ' A' ' 119' ' ' ARG . 28.3 m-85 -68.59 -58.79 3.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.835 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.491 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 34.9 t80 -36.82 -48.93 0.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.904 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 81.8 mt -67.34 -40.69 85.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.118 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.456 ' HG2' ' CD2' ' A' ' 62' ' ' LEU . 55.3 mtt180 -63.09 -57.18 11.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -67.53 -22.06 65.44 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.928 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.491 ' CB ' ' O ' ' A' ' 117' ' ' PHE . 19.2 tttp -76.65 -48.23 19.69 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.675 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 50.4 m-85 -99.44 -68.0 0.82 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.586 ' HG3' HD13 ' A' ' 66' ' ' ILE . 13.2 tt0 -39.88 -59.22 1.23 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 55.6 mtpt -77.35 -20.19 55.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.915 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HD2' ' CD1' ' A' ' 128' ' ' TYR . 44.7 mmtm 62.9 25.25 14.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 38.2 mtpt -44.12 -68.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.902 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 101' ' ' LEU . 4.7 m-85 -83.56 34.17 0.48 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.931 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CD1' ' HD2' ' A' ' 125' ' ' LYS . 62.8 t80 -89.65 122.14 32.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.891 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 5.6 t0 -92.84 65.06 4.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.454 ' HD2' ' N ' ' A' ' 131' ' ' ASN . 0.0 OUTLIER -52.71 -32.17 41.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' N ' ' HD2' ' A' ' 130' ' ' LYS . 89.1 m-20 -52.51 -40.51 62.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.917 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -69.13 -18.03 63.9 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.16 179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.596 HG22 ' O ' ' A' ' 133' ' ' ILE . 30.2 mm -82.45 60.14 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.084 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -97.93 140.54 32.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.103 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 6.0 mm 44.82 51.41 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 33.4 t -124.83 122.09 36.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.863 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . 90.38 146.6 16.18 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.5 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -39.5 6.46 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.688 2.258 . . . . 0.0 112.36 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 2.1 t -42.46 124.07 2.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 46.2 m -72.12 123.23 22.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.87 -179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.492 -179.945 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -159.35 161.97 35.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 0.0 110.84 -179.741 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 96.5 p -92.87 93.92 8.66 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.914 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 52.94 89.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.481 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.0 p -91.55 123.7 35.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.924 0.392 . . . . 0.0 110.846 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.4 t -159.22 148.37 18.41 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.73 79.93 0.35 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.509 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -101.21 -60.83 1.46 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.782 0.325 . . . . 0.0 110.855 -179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 59.6 44.86 13.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.134 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 tt0 -62.62 -43.49 98.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HD3' ' N ' ' A' ' 11' ' ' LYS . 0.0 OUTLIER -103.69 -34.36 8.63 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.914 179.968 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.786 ' O ' HD11 ' A' ' 19' ' ' ILE . 4.4 mm? -58.81 -43.29 90.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.921 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 1.8 t30 -44.06 -52.24 7.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -40.08 -51.28 2.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.895 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.416 ' OE1' HD22 ' A' ' 18' ' ' LEU . 21.0 tt0 -102.89 92.99 4.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.707 ' HA ' HD12 ' A' ' 19' ' ' ILE . 16.4 m-70 -64.66 -60.35 3.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.853 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.46 ' C ' ' O ' ' A' ' 16' ' ' HIS . 12.5 mm100 -33.07 -66.96 0.13 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.416 HD22 ' OE1' ' A' ' 15' ' ' GLN . 13.9 tp -43.23 -52.47 5.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.895 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.786 HD11 ' O ' ' A' ' 12' ' ' LEU . 64.0 mt -48.17 -65.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.127 179.843 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . . . . . . . . . 10.3 mt -44.02 -49.37 8.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.911 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 13.6 t -62.66 -38.42 90.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 41.6 mttt -60.56 -40.2 90.75 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.898 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.879 HD11 HE21 ' A' ' 86' ' ' GLN . 31.1 mt -62.94 -50.64 70.02 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.862 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.629 HD21 ' CD2' ' A' ' 50' ' ' PHE . 70.7 mt -51.37 -46.07 62.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.86 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 41.5 mtp180 -44.06 -40.83 5.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.9 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -62.24 131.13 48.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.428 ' C ' ' OE1' ' A' ' 27' ' ' GLU . 0.7 OUTLIER -46.51 -32.57 3.43 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.902 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -60.32 -37.9 82.04 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 10.5 m-20 -114.37 25.24 11.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.459 ' O ' ' CD ' ' A' ' 40' ' ' PRO . 43.6 mttt -81.75 -30.31 32.48 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 12.5 m-85 -124.47 166.51 15.89 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.905 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.458 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.0 t -57.92 166.47 1.47 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.883 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -98.43 -6.46 30.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.079 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -118.49 -50.39 2.43 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.623 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 18.0 p -110.82 11.76 22.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.458 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 4.7 mm-40 35.39 36.9 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -55.05 161.38 1.7 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.111 179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -91.08 106.54 18.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.85 58.82 1.15 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.462 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.459 ' CD ' ' O ' ' A' ' 30' ' ' LYS . 53.1 Cg_endo -69.8 80.32 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.691 2.26 . . . . 0.0 112.325 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.46 ' O ' HG21 ' A' ' 72' ' ' VAL . 9.9 tpp85 -58.18 -77.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.401 ' O ' ' O ' ' A' ' 41' ' ' ARG . 62.6 m95 -44.08 168.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.91 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.504 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -164.98 135.33 3.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.051 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 m -91.63 109.91 21.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.466 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 48.6 p-90 -68.78 -55.63 10.62 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.455 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 1.1 p30 -37.81 -46.92 0.97 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.412 ' N ' ' CG ' ' A' ' 46' ' ' ASN . 95.7 mt -83.03 -47.17 18.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.122 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 102.22 40.49 2.61 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.48 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.511 HG11 ' CB ' ' A' ' 93' ' ' ALA . 34.6 m -145.33 159.2 13.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.857 0.36 . . . . 0.0 111.139 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.629 ' CD2' HD21 ' A' ' 24' ' ' LEU . 96.6 m-85 -98.22 122.53 41.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 26.2 pt -124.47 160.35 29.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.128 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.2 p -78.3 175.65 10.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.471 HG23 ' N ' ' A' ' 54' ' ' ARG . 15.9 tt -65.38 -43.01 94.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.569 ' CZ ' HG21 ' A' ' 114' ' ' VAL . 7.1 tmm_? -54.54 -60.49 3.28 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.892 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.427 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 61.7 m -55.46 -48.18 74.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.676 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -46.88 -49.9 19.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.048 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -45.52 -47.29 12.29 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.475 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.544 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.2 mp -66.9 -46.34 85.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.819 0.343 . . . . 0.0 111.108 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -45.56 -50.12 13.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 28.5 mtm180 -48.22 -47.78 35.46 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.902 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' LEU . 10.0 m-20 -54.14 -52.32 61.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.851 -179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 61' ' ' ASN . 38.3 mt -32.13 -54.92 0.31 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 137.49 139.66 3.93 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.491 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 25.4 m -52.88 -31.14 16.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.818 0.342 . . . . 0.0 111.154 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.569 ' CD2' HG13 ' A' ' 66' ' ' ILE . 44.4 p-80 -71.19 -35.94 71.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.569 HG13 ' CD2' ' A' ' 65' ' ' HIS . 45.9 mt -79.46 -60.17 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.119 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.2 t -158.36 133.61 8.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 16.6 mtt180 -100.99 167.46 10.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.676 HG11 ' HB1' ' A' ' 56' ' ' ALA . 65.3 t -138.57 132.99 41.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.111 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.6 ptpp? -156.92 145.45 19.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.913 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.446 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 15.2 m -54.94 158.56 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 -179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.46 HG21 ' O ' ' A' ' 41' ' ' ARG . 11.5 t -88.48 -45.67 15.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.087 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.434 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.3 OUTLIER -105.71 -48.19 3.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.859 -179.984 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 25.7 mt -49.18 -42.47 40.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -97.18 168.62 10.32 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.5 mm100 -91.66 165.58 13.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.466 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 26.8 m95 -142.9 -179.89 6.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 31.9 p -149.32 149.3 30.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.148 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -40.98 -49.36 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.091 179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.5 tp10 -45.28 -43.54 10.66 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.945 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 39.0 mt-30 -82.11 -47.05 13.02 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 38.2 mm -52.31 -59.29 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.14 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.429 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 7.1 tp60 -46.19 -42.3 13.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.931 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 15.6 m -59.89 -52.3 66.01 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.85 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 79.0 mmm -39.03 -46.01 1.31 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.879 HE21 HD11 ' A' ' 23' ' ' LEU . 12.1 mp0 -75.22 -46.96 30.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.921 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 38.5 m-20 -49.16 -44.57 42.87 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.893 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 4.0 tpt -95.47 -72.41 0.63 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.11 178.98 5.88 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.463 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.1 m-20 -72.93 -40.68 65.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.951 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.6 m -40.43 -65.97 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.167 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.412 ' O ' ' C ' ' A' ' 93' ' ' ALA . 57.9 mttm -63.64 -50.46 69.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.511 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -37.1 -41.86 0.39 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.159 179.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 22.3 ttt85 -72.16 -47.6 49.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.524 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 20.2 mt -65.87 -10.47 38.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.46 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.6 tm? -105.46 -64.65 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.407 ' O ' ' O ' ' A' ' 127' ' ' TYR . 96.1 m-85 -75.61 -47.16 27.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -84.53 30.52 0.55 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.524 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -99.67 -41.08 7.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.084 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 49.7 m-20 -82.48 16.15 2.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.471 HD23 ' CD2' ' A' ' 127' ' ' TYR . 20.4 mt -82.5 142.84 46.79 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.606 0.717 . . . . 0.0 110.928 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 140.2 42.07 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.688 2.259 . . . . 0.0 112.378 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -44.5 -39.97 5.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.923 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.453 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -100.88 39.35 1.4 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.875 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.453 ' CD1' HD22 ' A' ' 101' ' ' LEU . 14.8 t80 -63.93 141.97 58.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 19.1 mtm180 -111.58 121.62 45.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.906 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 13.4 ttm180 -83.09 130.05 58.73 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.638 0.732 . . . . 0.0 110.877 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.407 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 53.5 Cg_endo -69.8 137.45 35.37 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.698 2.265 . . . . 0.0 112.327 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 -101.87 -40.39 6.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.88 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.438 ' O ' HG23 ' A' ' 114' ' ' VAL . 20.8 p -88.65 156.12 19.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.432 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.0 OUTLIER -59.25 -51.01 71.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.861 179.904 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.465 ' HG3' ' N ' ' A' ' 113' ' ' ALA . 12.3 pt20 -35.71 -40.03 0.16 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.909 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.465 ' N ' ' HG3' ' A' ' 112' ' ' GLN . . . -85.32 -59.56 2.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.093 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.569 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 95.5 t -41.82 -52.9 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -44.27 -52.6 7.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -68.21 -49.09 63.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.902 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.597 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 39.1 t80 -41.46 -51.78 3.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.859 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 28.2 mt -69.21 -38.04 77.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.408 ' O ' ' HB3' ' A' ' 123' ' ' GLU . 19.9 mtp180 -71.93 -6.76 44.25 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.908 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -119.99 -23.55 6.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 25.0 ttpt -84.45 -47.11 10.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.919 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 56.6 m-85 -95.97 -61.98 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.48 ' HG3' HD13 ' A' ' 66' ' ' ILE . 2.4 tt0 -48.02 -62.7 1.34 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.87 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.408 ' O ' ' HB2' ' A' ' 125' ' ' LYS . 30.3 mtpp -73.85 -23.42 59.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.534 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 41.9 mmtt 65.18 27.23 12.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.917 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 44.0 mtpt -47.1 -64.79 0.69 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.471 ' CD2' HD23 ' A' ' 101' ' ' LEU . 4.3 m-85 -88.38 37.09 0.81 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.534 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 57.0 t80 -96.66 118.01 32.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.9 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -96.5 103.56 15.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.871 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.77 -38.75 28.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 27.9 m120 -42.29 -39.48 2.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.887 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -45.79 -41.34 10.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.103 179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.742 HG22 ' O ' ' A' ' 133' ' ' ILE . 47.4 mm 35.36 54.51 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.118 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -96.89 178.71 5.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.103 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 54.3 mt -38.99 110.43 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 22.8 t -149.95 149.84 30.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.409 ' HA3' ' HD2' ' A' ' 138' ' ' PRO . . . -92.17 -144.3 13.63 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.446 -179.946 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.409 ' HD2' ' HA3' ' A' ' 137' ' ' GLY . 53.7 Cg_endo -69.74 6.66 1.22 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.699 2.266 . . . . 0.0 112.343 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 27.5 t -81.97 111.78 18.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.903 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 96.5 p -118.14 178.3 4.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.482 -179.968 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -166.82 121.28 1.07 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.882 0.372 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.8 p -92.3 91.6 7.78 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.859 -179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 41.9 -147.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.5 m -129.66 143.58 50.89 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.847 0.356 . . . . 0.0 110.84 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.6 m -90.95 108.62 19.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.86 -179.802 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.92 58.11 0.2 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.484 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.41 ' HD3' ' N ' ' A' ' 8' ' ' LYS . 3.4 mppt? -103.53 111.33 23.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.745 0.307 . . . . 0.0 110.864 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.3 -61.77 1.65 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.144 179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 3.0 pm0 -47.14 -28.55 1.84 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.442 ' O ' ' C ' ' A' ' 12' ' ' LEU . 3.3 tppp? -69.13 -58.45 4.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . 0.442 ' C ' ' O ' ' A' ' 11' ' ' LYS . 2.3 tt -34.09 -50.14 0.38 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.921 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -52.45 135.38 33.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.913 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -87.92 91.42 8.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 tp-100 -138.98 119.92 14.4 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.89 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.67 ' HA ' HD12 ' A' ' 19' ' ' ILE . 27.2 m170 -62.96 -56.49 16.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . . . . . . . . . 23.2 mm100 -41.12 -54.58 2.83 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.882 -179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.4 tp -54.31 -53.63 51.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.964 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.67 HD12 ' HA ' ' A' ' 16' ' ' HIS . 58.7 mt -43.96 -64.27 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.678 HD13 HG12 ' A' ' 72' ' ' VAL . 15.2 mt -38.56 -45.5 1.07 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 28.9 t -63.47 -46.57 85.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.833 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -51.42 -39.77 58.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.804 HD11 HE21 ' A' ' 86' ' ' GLN . 23.5 mt -63.1 -53.87 46.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 74.6 mt -50.81 -40.72 56.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 40.2 mtt-85 -49.69 -40.35 39.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.868 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -60.69 138.05 58.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.916 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 48.8 mt-10 -52.03 -35.42 46.94 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.912 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 41.0 m-20 -60.41 -29.04 68.72 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -121.5 29.76 7.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.897 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 21.3 mmtt -85.52 -20.62 29.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -141.14 158.95 43.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 8.8 t -41.38 160.91 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.849 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -94.65 3.9 54.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.104 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 -130.4 -56.25 1.08 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.874 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.673 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 19.0 p -99.53 9.72 42.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 40.12 34.76 0.21 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.673 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -59.71 147.81 36.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.134 179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 2.7 tppt? -83.76 111.93 19.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.875 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . 0.418 ' N ' ' CD ' ' A' ' 40' ' ' PRO . . . 93.03 54.29 1.77 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.496 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' CD ' ' N ' ' A' ' 39' ' ' GLY . 53.9 Cg_endo -69.76 79.85 0.92 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.661 2.241 . . . . 0.0 112.359 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -55.44 -77.78 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.896 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 65.3 m95 -43.85 167.64 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -164.66 149.28 9.5 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.078 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.9 t -106.93 110.19 22.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.804 -179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.581 ' CD1' ' HE2' ' A' ' 70' ' ' LYS . 31.8 p-90 -70.14 -57.19 5.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 45' ' ' TRP . 9.9 t30 -35.0 -47.54 0.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.898 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.608 HD13 ' CE2' ' A' ' 122' ' ' TYR . 82.1 mt -85.08 -48.63 16.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.139 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 103.4 39.94 2.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.52 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.0 m -141.14 148.91 20.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.828 0.347 . . . . 0.0 111.122 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.467 ' CZ ' ' HE2' ' A' ' 85' ' ' MET . 98.5 m-85 -91.85 124.86 36.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.854 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 23.4 pt -128.72 159.18 40.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.121 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.2 p -73.94 -174.63 1.9 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.909 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 6.4 tt -77.65 -20.34 13.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.129 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.456 ' NH2' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -75.03 -59.78 2.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.405 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 85.8 m -55.49 -42.47 74.44 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.854 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.76 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.37 -51.38 26.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.118 179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.87 -41.9 21.29 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.534 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 4.7 mp -71.59 -29.39 34.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.847 0.356 . . . . 0.0 111.113 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -67.29 -49.5 64.0 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.801 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.433 ' CZ ' ' HB3' ' A' ' 60' ' ' ARG . 6.5 mtp-105 -51.88 -40.49 60.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.892 -179.878 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 41.4 m-20 -57.57 -50.66 72.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.888 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.424 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 31.9 mt -38.05 -59.49 0.85 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.417 ' HA3' ' CE1' ' A' ' 65' ' ' HIS . . . 142.9 133.19 2.75 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.461 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 35.2 m -44.8 -30.18 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.864 0.364 . . . . 0.0 111.183 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.595 ' CD2' HG13 ' A' ' 66' ' ' ILE . 43.8 p-80 -73.17 -35.65 66.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.595 HG13 ' CD2' ' A' ' 65' ' ' HIS . 74.7 mt -78.21 -52.61 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.165 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.5 t -156.06 132.31 10.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.404 ' HB3' ' NE1' ' A' ' 45' ' ' TRP . 22.7 mmm-85 -100.05 129.14 46.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.855 -179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.76 HG11 ' HB1' ' A' ' 56' ' ' ALA . 43.3 t -110.33 139.64 32.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.132 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.581 ' HE2' ' CD1' ' A' ' 45' ' ' TRP . 20.8 pttt -172.53 130.32 0.56 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.896 179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.0 t -44.28 164.52 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.873 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.678 HG12 HD13 ' A' ' 20' ' ' LEU . 2.5 t -88.52 -46.92 15.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.158 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 4.0 t30 -95.82 -65.47 0.97 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.913 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 75.4 mt -38.61 -33.02 0.09 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -101.35 163.07 12.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.86 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . 0.441 ' C ' ' CD1' ' A' ' 77' ' ' TRP . 21.9 pt20 -88.41 159.05 18.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.893 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.532 ' CE2' ' HE3' ' A' ' 70' ' ' LYS . 32.4 m95 -145.1 149.79 35.67 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 35.9 p -124.79 157.02 36.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.132 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -42.85 -49.23 5.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.085 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 68.6 mm-40 -47.04 -47.67 22.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -73.71 -41.74 62.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.941 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.505 HG13 ' CG ' ' A' ' 16' ' ' HIS . 31.5 mm -53.89 -59.67 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.115 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.6 tp-100 -43.08 -48.98 6.29 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.895 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 64.7 m -50.37 -58.65 5.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.89 -179.921 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.467 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 90.2 mmm -37.81 -51.28 1.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.914 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.804 HE21 HD11 ' A' ' 23' ' ' LEU . 8.5 mp0 -69.57 -50.33 45.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.923 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -47.63 -60.36 2.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.5 tpt -78.05 -73.85 0.29 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 66.18 171.68 4.12 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.511 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -69.05 -37.31 78.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.899 0.38 . . . . 0.0 110.913 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 31.1 m -45.43 -68.75 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.12 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 20.0 mtpp -59.34 -44.57 92.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.862 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -44.12 -41.19 5.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.123 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 24.6 mtp85 -74.68 -38.61 62.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 24.0 mt -76.29 -2.75 33.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -114.3 -68.5 0.92 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.89 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.627 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 92.5 m-85 -68.97 -53.55 20.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.922 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.453 ' HB3' ' CD1' ' A' ' 101' ' ' LEU . 40.5 mt-10 -88.05 37.76 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.886 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -98.71 -35.77 10.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.2 m-80 -92.01 18.72 7.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.849 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.62 HD22 ' CD1' ' A' ' 105' ' ' PHE . 49.2 mt -59.19 147.18 75.93 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.654 0.74 . . . . 0.0 110.878 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 143.76 51.69 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -49.62 -31.1 10.03 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.435 ' O ' ' CG ' ' A' ' 104' ' ' ASN . 0.7 OUTLIER -111.59 43.98 1.43 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.62 ' CD1' HD22 ' A' ' 101' ' ' LEU . 5.6 t80 -65.24 150.21 48.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.866 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.444 ' HB2' ' NH1' ' A' ' 106' ' ' ARG . 23.3 ttm105 -138.0 115.09 10.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.899 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . 0.412 ' HB2' ' NH1' ' A' ' 107' ' ' ARG . 7.8 ttm105 -69.02 118.05 57.76 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.658 0.742 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 142.32 47.71 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.676 2.251 . . . . 0.0 112.315 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.6 tp60 -104.16 -35.95 7.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.921 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.44 ' O ' HG23 ' A' ' 114' ' ' VAL . 81.3 p -88.33 146.36 25.33 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.142 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -56.85 -40.93 77.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 32.8 tp60 -40.42 -35.86 0.49 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.955 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -100.42 -52.01 3.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.112 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.456 HG21 ' NH2' ' A' ' 54' ' ' ARG . 90.7 t -44.94 -61.2 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.132 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.4 ' C ' ' O ' ' A' ' 114' ' ' VAL . 6.4 tm-20 -38.05 -55.51 1.25 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.881 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -62.0 -55.06 33.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.88 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.503 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 38.7 t80 -41.2 -51.44 3.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 79.4 mt -63.89 -39.84 86.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.44 ' O ' ' CB ' ' A' ' 123' ' ' GLU . 49.9 mtt-85 -62.33 -57.73 10.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -72.66 -8.15 53.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.862 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.551 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 23.2 tttt -85.98 -39.56 16.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.627 ' CD2' ' CE2' ' A' ' 97' ' ' TYR . 78.1 m-85 -110.8 -49.14 3.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.44 ' CB ' ' O ' ' A' ' 119' ' ' ARG . 5.9 tm-20 -58.6 -56.16 25.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -80.09 -20.39 45.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.911 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.54 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 34.8 mmtm 60.52 29.7 19.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.7 mtpt -52.59 -74.77 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.888 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.53 ' CD2' HD23 ' A' ' 101' ' ' LEU . 6.3 m-85 -64.33 -21.03 66.48 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 -179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.54 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 44.1 t80 -47.31 124.73 7.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -100.48 103.32 14.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.423 ' C ' ' HD3' ' A' ' 130' ' ' LYS . 0.0 OUTLIER -80.08 -35.91 36.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.908 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 89.2 m-20 -42.41 -45.24 4.29 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -61.83 -51.84 66.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.134 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.461 ' CG2' HG12 ' A' ' 135' ' ' ILE . 48.9 mm -38.21 -51.74 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.191 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.462 ' O ' ' C ' ' A' ' 135' ' ' ILE . . . 69.21 29.68 4.54 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.114 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.462 ' C ' ' O ' ' A' ' 134' ' ' ALA . 14.9 mm -31.97 -59.95 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 3.1 m -165.38 176.73 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.871 -179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -49.23 179.75 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.46 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 89.76 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.62 2.214 . . . . 0.0 112.358 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 32.0 m -40.5 140.62 0.63 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.849 -179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 63.0 p -133.26 138.23 46.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.849 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.532 -179.96 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.461 -0.256 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -164.12 127.3 2.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.843 0.354 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.9 p -167.05 125.65 1.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 89.7 62.3 1.32 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.3 t -120.56 156.42 31.62 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.866 0.365 . . . . 0.0 110.887 -179.73 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -42.72 -60.29 1.62 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.849 -179.782 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.77 141.21 9.03 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 30.8 tttt -164.16 145.24 8.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 0.0 110.883 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -95.19 81.31 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.059 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -122.27 -47.83 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.913 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -74.51 -45.85 43.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.4 tp -42.07 -43.4 3.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 60.9 m-80 -89.58 78.72 6.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -133.24 97.91 4.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.865 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 9.3 pt20 -110.68 136.75 49.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.462 ' H ' ' CD2' ' A' ' 16' ' ' HIS . 5.6 m-70 -38.82 -65.19 0.38 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.89 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.444 ' C ' ' O ' ' A' ' 16' ' ' HIS . 1.9 mp0 -33.51 -64.31 0.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.956 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.448 ' O ' ' C ' ' A' ' 19' ' ' ILE . 11.3 tp -44.32 -67.72 0.26 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.917 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 18' ' ' LEU . 34.1 mt -33.98 -60.78 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.17 179.831 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.585 HD21 ' CZ3' ' A' ' 77' ' ' TRP . 12.1 mt -42.2 -45.28 4.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.411 ' N ' ' O ' ' A' ' 18' ' ' LEU . 26.9 t -64.99 -42.43 94.51 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.883 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' N ' ' HD2' ' A' ' 22' ' ' LYS . 0.1 OUTLIER -54.73 -31.3 58.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.661 HD11 HE21 ' A' ' 86' ' ' GLN . 37.4 mt -73.1 -48.56 34.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.574 HD21 ' CD2' ' A' ' 50' ' ' PHE . 66.7 mt -50.87 -40.59 56.79 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.906 179.892 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 26.9 mtm105 -48.07 -48.07 33.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -49.39 139.53 11.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -60.91 -13.11 13.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -84.38 -18.17 36.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -123.8 16.96 9.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.883 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 26.3 mttm -78.56 -23.61 46.05 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.875 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 9.8 m-85 -128.92 167.63 17.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.468 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 23.2 t -58.69 164.34 2.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.915 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.13 -1.04 52.77 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 11.0 m-20 -126.24 -64.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.872 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.606 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -88.26 -2.56 58.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.936 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.487 ' N ' ' OE1' ' A' ' 36' ' ' GLU . 4.9 mp0 49.42 35.17 7.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.606 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -64.03 160.89 17.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 9.5 ttmt -91.32 117.4 29.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 94.07 56.0 1.44 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.503 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 82.67 0.75 Allowed 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.679 2.253 . . . . 0.0 112.343 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.487 ' O ' HG21 ' A' ' 72' ' ' VAL . 12.6 tpp180 -62.7 -75.2 0.08 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.476 ' HE1' HD12 ' A' ' 53' ' ' ILE . 72.5 m95 -48.08 167.4 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -165.66 138.34 4.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.085 179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -98.51 111.75 24.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.553 ' CE3' ' HG2' ' A' ' 81' ' ' GLN . 24.3 p-90 -75.01 -53.24 9.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.474 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -37.24 -30.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.923 179.978 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.611 HD11 ' OG ' ' A' ' 67' ' ' SER . 89.5 mt -106.37 -44.2 7.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.18 179.877 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 99.92 49.98 1.42 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 9.4 m -150.62 141.78 16.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.843 0.354 . . . . 0.0 111.165 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.574 ' CD2' HD21 ' A' ' 24' ' ' LEU . 61.2 m-85 -87.67 122.61 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.452 HD12 ' HA ' ' A' ' 56' ' ' ALA . 21.3 pt -124.69 157.44 32.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.144 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.4 p -73.34 -175.32 1.87 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.868 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.476 HD12 ' HE1' ' A' ' 42' ' ' TRP . 5.2 tt -74.22 -41.84 51.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.085 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.416 ' N ' HG23 ' A' ' 53' ' ' ILE . 7.8 tmm_? -56.31 -66.8 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.4 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 94.5 m -50.56 -50.08 54.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.872 -179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.527 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -41.54 -47.91 3.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.116 179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.61 -37.6 34.06 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.506 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.504 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.2 mp -73.56 -33.65 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.865 0.364 . . . . 0.0 111.125 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -62.64 -37.4 86.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 44.4 mtt180 -62.15 -48.15 81.38 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.846 -179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 58' ' ' ILE . 0.3 OUTLIER -53.77 -48.59 69.59 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.866 -179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.511 HD22 ' HG2' ' A' ' 119' ' ' ARG . 16.0 mt -37.41 -55.12 1.07 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.893 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.84 143.94 4.71 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.472 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 34.5 m -59.19 -15.76 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.868 0.366 . . . . 0.0 111.125 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 27.3 p-80 -89.95 -14.54 33.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.911 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . . . . . . . . . 12.1 mt -102.95 -51.79 8.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.611 ' OG ' HD11 ' A' ' 47' ' ' ILE . 31.8 m -158.82 121.15 3.58 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 37.3 mtm-85 -93.01 140.06 29.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.876 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.527 HG11 ' HB1' ' A' ' 56' ' ' ALA . 48.0 t -117.92 133.69 63.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.129 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 12.0 ptpt -156.51 141.71 17.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.924 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.469 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 67.3 m -60.63 142.8 55.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.568 HG12 HD13 ' A' ' 20' ' ' LEU . 1.5 t -66.82 -34.48 70.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.084 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ASP . 6.7 t30 -117.95 -63.92 1.36 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.469 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 22.6 mt -38.19 -27.03 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.943 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . 0.481 ' N ' ' O ' ' A' ' 73' ' ' ASN . 4.2 m-20 -111.05 161.23 16.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.891 179.848 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 9.8 tt0 -91.31 147.85 22.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.903 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.585 ' CZ3' HD21 ' A' ' 20' ' ' LEU . 11.0 m95 -125.49 -174.97 3.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 15.2 p -148.68 143.96 26.82 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.129 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -41.26 -52.19 3.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -47.51 -38.09 13.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.553 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 90.8 mt-30 -78.05 -40.42 38.75 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.956 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 44.3 mm -55.68 -57.34 8.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.109 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 6.2 tp-100 -41.22 -48.11 3.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.4 ' O ' ' C ' ' A' ' 85' ' ' MET . 94.2 m -52.01 -57.73 8.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.918 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.4 ' C ' ' O ' ' A' ' 84' ' ' CYS . 81.3 mmm -36.85 -57.9 0.78 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.661 HE21 HD11 ' A' ' 23' ' ' LEU . 8.1 mp0 -60.28 -51.93 67.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.911 -179.957 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -48.76 -62.65 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.833 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 3.7 tpt -72.07 -73.84 0.18 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 65.34 168.45 2.1 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.474 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -66.38 -42.55 87.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.908 0.385 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 50.4 m -42.03 -67.64 0.25 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.194 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' A' ' 93' ' ' ALA . 43.5 mtpt -60.21 -48.37 82.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.874 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.408 ' C ' ' O ' ' A' ' 92' ' ' LYS . . . -37.44 -37.14 0.18 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.102 179.861 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 65.3 ttt180 -73.81 -47.85 35.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.835 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.667 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 16.4 mt -69.11 -7.0 31.98 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 -179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.459 HD11 ' O ' ' A' ' 129' ' ' ASP . 0.3 OUTLIER -108.02 -61.86 1.52 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.946 179.832 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.433 ' OH ' HG23 ' A' ' 47' ' ' ILE . 96.5 m-85 -76.21 -38.81 55.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.913 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.578 ' HG2' ' HZ2' ' A' ' 121' ' ' LYS . 36.7 mt-10 -100.12 37.72 1.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.863 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.667 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -100.63 -27.49 13.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.121 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -97.08 16.4 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.664 HD22 ' CD1' ' A' ' 105' ' ' PHE . 43.8 mt -79.89 145.13 61.05 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.6 0.714 . . . . 0.0 110.938 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 158.02 58.48 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.687 2.258 . . . . 0.0 112.348 179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 tp10 -58.88 -35.36 72.87 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.861 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 23.7 p30 -103.35 33.64 3.25 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.664 ' CD1' HD22 ' A' ' 101' ' ' LEU . 23.8 t80 -57.21 162.78 2.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.539 ' O ' ' CZ ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -136.05 147.06 47.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 14.9 ttm180 -104.87 118.18 56.9 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.621 0.725 . . . . 0.0 110.912 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.71 148.09 64.6 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.73 2.287 . . . . 0.0 112.369 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 32.4 mm-40 -119.22 -37.17 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -76.76 134.2 39.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.134 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 112' ' ' GLN . 2.2 m-20 -46.67 -59.48 3.0 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.912 179.908 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 111' ' ' ASP . 12.2 pt20 -35.3 -35.53 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.901 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.423 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -92.94 -63.48 1.21 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.418 ' C ' ' O ' ' A' ' 113' ' ' ALA . 77.7 t -36.11 -58.46 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.151 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 47.3 tt0 -38.8 -49.9 1.65 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.919 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.51 ' O ' ' N ' ' A' ' 119' ' ' ARG . 24.5 m-85 -66.12 -61.58 1.96 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.552 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 31.5 t80 -37.3 -45.64 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.843 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 87.3 mt -68.63 -36.39 74.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.088 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.511 ' HG2' HD22 ' A' ' 62' ' ' LEU . 7.7 mtp-105 -69.35 -44.8 70.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.424 ' HB3' ' NZ ' ' A' ' 126' ' ' LYS . 4.9 m-20 -72.78 -13.26 61.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.87 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.58 ' NZ ' HD11 ' A' ' 101' ' ' LEU . 18.9 ttmt -105.63 -22.25 13.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.928 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . . . . . . . . . 1.9 m-85 -117.95 -47.29 2.6 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 2.9 tt0 -65.11 -69.48 0.29 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.853 -179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.491 ' CD ' ' HE2' ' A' ' 126' ' ' LYS . 41.8 mttm -74.61 -25.68 59.4 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.94 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.408 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 27.7 mmtp 63.87 44.15 5.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.491 ' HE2' ' CD ' ' A' ' 124' ' ' LYS . 17.8 mtmt -68.26 -63.22 1.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.88 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . . . . . . . . . 1.2 m-85 -76.67 4.74 8.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.408 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 91.1 t80 -73.32 121.42 20.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.459 ' O ' HD11 ' A' ' 96' ' ' LEU . 7.6 t0 -84.61 102.57 13.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.07 -0.513 . . . . 0.0 110.871 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.41 -16.12 24.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -74.31 -30.89 62.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . . . . . . . . . . . -60.4 -57.99 10.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.076 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.73 HG22 ' H ' ' A' ' 135' ' ' ILE . 4.6 mp -38.16 -75.28 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.114 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . 40.2 25.24 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.113 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.73 ' H ' HG22 ' A' ' 133' ' ' ILE . 2.8 pp -66.62 172.42 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.123 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.429 ' O ' ' C ' ' A' ' 137' ' ' GLY . 84.1 p -121.13 170.39 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.429 ' C ' ' O ' ' A' ' 136' ' ' SER . . . -36.04 98.6 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.499 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.4 ' HD2' ' HA2' ' A' ' 137' ' ' GLY . 54.2 Cg_endo -69.77 165.06 32.25 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.692 2.261 . . . . 0.0 112.344 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 89.8 p -65.54 124.48 22.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.849 -179.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 15.5 t -145.64 132.88 20.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.815 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.468 179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 m -132.31 122.73 25.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.1 m -64.24 172.8 2.27 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.837 -179.792 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -138.2 75.52 0.38 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -114.48 105.73 13.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.861 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 80.7 p -105.98 85.88 2.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.49 146.63 4.75 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.466 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.08 144.7 14.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.84 0.352 . . . . 0.0 110.87 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . 43.53 40.15 2.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.103 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 52.6 mt-30 -83.22 -56.99 3.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.9 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.2 tmtt? -76.72 -40.72 47.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.924 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.2 mt -79.16 44.91 0.6 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.927 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.423 ' O ' ' CG ' ' A' ' 13' ' ' ASN . 23.7 p-10 -114.04 102.91 10.62 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 179.887 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -119.29 -51.74 2.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.904 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -154.75 138.24 15.93 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.943 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.485 ' HA ' HD12 ' A' ' 19' ' ' ILE . 10.0 m170 -52.07 -61.15 2.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.468 ' C ' ' O ' ' A' ' 16' ' ' HIS . 36.6 mm-40 -32.16 -55.92 0.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.931 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.462 ' O ' ' C ' ' A' ' 19' ' ' ILE . 4.9 tt -56.73 -64.12 0.98 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.942 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.485 HD12 ' HA ' ' A' ' 16' ' ' HIS . 80.5 mt -33.13 -64.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.157 179.799 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.437 ' C ' ' O ' ' A' ' 19' ' ' ILE . 28.5 mt -34.24 -57.05 0.5 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.894 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.433 ' HA ' HD12 ' A' ' 24' ' ' LEU . 11.9 t -62.03 -40.01 94.24 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.462 ' N ' ' O ' ' A' ' 19' ' ' ILE . 4.1 ttmm -55.75 -44.01 77.18 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.909 179.902 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.499 HD12 ' HZ ' ' A' ' 50' ' ' PHE . 20.4 mt -58.67 -49.94 75.7 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.925 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.54 HD21 ' CD2' ' A' ' 50' ' ' PHE . 40.7 mt -50.67 -44.71 57.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 97.9 mtt180 -42.87 -41.76 3.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 73.8 mm-40 -60.43 135.96 57.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.854 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -49.35 -35.49 18.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -58.39 -38.41 77.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.831 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -113.84 26.69 10.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 -179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 34.0 mttt -83.95 -26.84 28.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.904 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.427 ' CD1' ' N ' ' A' ' 31' ' ' TYR . 1.8 m-85 -130.17 158.42 39.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.456 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 13.8 t -51.41 165.23 0.16 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.859 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -95.72 -6.85 38.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.061 179.871 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -117.9 -60.25 1.82 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.854 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.709 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.0 p -99.77 8.94 43.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.913 -179.93 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.456 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 9.0 mm-40 40.01 35.58 0.25 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.709 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -60.99 139.91 57.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mmmt -68.52 126.61 30.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 75.73 59.87 3.35 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.2 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.135 0 C-N-CA 122.664 2.243 . . . . 0.0 112.358 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.677 ' O ' HG21 ' A' ' 72' ' ' VAL . 0.0 OUTLIER -56.8 -72.73 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.881 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.503 ' NE1' HG12 ' A' ' 53' ' ' ILE . 52.7 m95 -43.3 162.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -166.54 121.93 1.17 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.103 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.6 t -83.83 110.99 18.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.424 ' CD2' ' N ' ' A' ' 46' ' ' ASN . 70.0 p-90 -69.36 -46.56 66.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' TRP . 45.4 t30 -43.73 -47.12 7.83 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.863 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 97.7 mt -85.07 -48.97 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 105.71 38.88 2.29 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.48 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 34.5 m -140.19 153.51 22.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.869 0.366 . . . . 0.0 111.123 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.54 ' CD2' HD21 ' A' ' 24' ' ' LEU . 89.2 m-85 -96.98 120.76 37.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.2 pt -122.69 168.15 15.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.151 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 28.1 p -81.35 -174.33 4.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.878 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.503 HG12 ' NE1' ' A' ' 42' ' ' TRP . 0.0 OUTLIER -75.39 -39.2 41.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.139 179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.485 ' NH2' HG21 ' A' ' 114' ' ' VAL . 6.7 tmm_? -59.87 -67.15 0.41 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.466 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 90.2 m -46.89 -50.67 18.3 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.768 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -42.8 -49.54 5.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.091 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.33 -43.87 34.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.465 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.475 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -68.07 -44.43 84.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 111.078 -179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -48.27 -50.42 29.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.869 179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 11.9 mtp180 -47.44 -49.87 24.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.895 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 62' ' ' LEU . 51.8 m-20 -52.02 -52.1 53.0 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.894 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 61' ' ' ASN . 32.0 mt -34.17 -55.08 0.51 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.919 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 145.36 132.49 2.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.46 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.502 HG23 ' N ' ' A' ' 65' ' ' HIS . 31.1 m -43.18 -45.55 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 120.857 0.361 . . . . 0.0 111.099 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.566 ' CD2' HG13 ' A' ' 66' ' ' ILE . 16.6 p-80 -58.51 -40.08 81.88 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.875 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.566 HG13 ' CD2' ' A' ' 65' ' ' HIS . 12.2 mt -74.34 -54.67 14.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.096 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.7 t -151.76 130.33 12.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.818 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 17.6 mtp180 -113.17 73.85 0.83 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.768 HG11 ' HB1' ' A' ' 56' ' ' ALA . 85.9 t -41.37 131.24 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.13 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 11.7 ttmt -145.39 131.52 19.39 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.896 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 t -57.61 152.72 14.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.677 HG21 ' O ' ' A' ' 41' ' ' ARG . 4.0 t -85.13 -40.79 15.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.104 179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -104.85 -63.12 1.25 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.862 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 59.7 mt -41.23 -36.05 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.902 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -104.86 157.43 17.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -96.53 154.68 17.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . . . . . . . . . 13.4 m95 -123.41 -175.07 3.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 45.5 p -146.15 148.86 33.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.166 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -43.82 -49.57 8.12 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.0 tt0 -48.89 -47.66 43.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . . . . . . . . . 72.2 mt-30 -72.32 -41.55 66.4 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.506 ' O ' ' NE2' ' A' ' 86' ' ' GLN . 21.6 mm -50.45 -60.3 0.89 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 2.5 tp-100 -42.9 -42.17 3.59 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.93 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 19.3 t -57.61 -51.54 69.07 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.511 ' HE2' ' CZ ' ' A' ' 50' ' ' PHE . 79.6 mmm -44.06 -56.35 4.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.863 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.506 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 6.0 mp0 -63.07 -43.97 97.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.892 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 -51.51 -65.73 0.51 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.4 tpt -74.72 -69.88 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.23 174.26 0.96 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.454 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -68.05 -43.84 77.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.91 0.386 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 85.1 m -38.63 -67.46 0.21 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.142 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 47.9 mttt -60.36 -51.46 69.42 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.864 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -41.16 -39.93 1.42 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.283 -0.417 . . . . 0.0 111.103 179.85 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 57.8 ttt180 -71.37 -44.33 65.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.494 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 32.3 mt -70.55 -8.57 52.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.911 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.443 HD13 ' C ' ' A' ' 96' ' ' LEU . 0.9 OUTLIER -106.88 -64.02 1.22 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.924 179.865 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.509 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 87.7 m-85 -73.78 -45.46 51.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.92 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.597 ' HG2' HD11 ' A' ' 101' ' ' LEU . 23.2 mt-10 -88.6 35.42 0.77 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.867 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.494 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -102.31 -44.15 5.48 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.047 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 24.0 m-80 -83.35 19.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.845 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.676 HD22 ' CD1' ' A' ' 105' ' ' PHE . 25.4 mt -76.65 143.26 71.46 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.57 0.7 . . . . 0.0 110.937 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 145.83 58.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.676 2.251 . . . . 0.0 112.342 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -47.84 -42.94 27.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.903 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.47 40.97 1.18 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.676 ' CD1' HD22 ' A' ' 101' ' ' LEU . 6.6 t80 -63.36 147.02 52.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 1.8 tmt_? -121.75 131.66 54.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.851 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 37.5 ttm-85 -91.75 128.65 45.28 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.643 0.735 . . . . 0.0 110.846 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.424 ' HB3' ' HB1' ' A' ' 113' ' ' ALA . 54.2 Cg_endo -69.71 145.02 56.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.747 2.298 . . . . 0.0 112.355 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -107.17 -41.81 5.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 12.5 t -102.99 157.15 17.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.165 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.401 ' O ' ' C ' ' A' ' 112' ' ' GLN . 1.5 m-20 -50.82 -43.26 58.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.844 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.401 ' C ' ' O ' ' A' ' 111' ' ' ASP . 25.0 tt0 -38.17 -34.59 0.13 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.927 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.424 ' HB1' ' HB3' ' A' ' 108' ' ' PRO . . . -106.42 -50.84 3.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.127 179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.485 HG21 ' NH2' ' A' ' 54' ' ' ARG . 93.2 t -46.8 -64.43 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.148 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 114' ' ' VAL . 30.2 tt0 -35.09 -54.16 0.6 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.844 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 16.5 m-85 -64.48 -52.34 58.43 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.582 ' CZ ' ' HD2' ' A' ' 121' ' ' LYS . 28.8 t80 -41.6 -49.25 4.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 26.7 mt -76.22 -35.8 28.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.105 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 48.9 mtp85 -70.85 -8.87 55.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.402 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.9 m-20 -123.64 -17.39 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.892 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.582 ' HD2' ' CZ ' ' A' ' 117' ' ' PHE . 74.7 tttt -82.65 -47.15 12.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.888 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.509 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 68.1 m-85 -98.2 -55.17 2.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.74 -64.93 0.68 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.402 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 25.8 mmtp -70.46 -22.17 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.928 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.523 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.8 mmtm 62.77 29.83 16.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.918 179.868 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 34.7 mtpt -52.24 -64.73 0.72 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.939 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.453 ' CD2' HD23 ' A' ' 101' ' ' LEU . 2.2 m-85 -87.17 39.24 0.85 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.954 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.523 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 67.2 t80 -97.6 118.65 34.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.906 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 17.3 t0 -92.46 105.7 17.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.902 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 6.2 ptmm? -81.02 -37.73 28.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.454 ' O ' ' C ' ' A' ' 132' ' ' ALA . 23.4 m-80 -50.35 -39.04 45.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.865 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.469 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -32.5 -56.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.087 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.689 HG22 ' O ' ' A' ' 133' ' ' ILE . 31.2 mm 32.8 55.01 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.142 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -108.13 114.61 28.63 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.08 179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.409 HG22 ' O ' ' A' ' 135' ' ' ILE . 3.7 mp 43.72 54.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.171 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 30.0 t -111.46 138.85 47.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.843 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -121.5 149.91 17.19 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.529 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -6.79 19.47 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.672 2.248 . . . . 0.0 112.386 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.0 t -84.71 108.02 17.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.883 -179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 62.0 m -152.6 156.64 39.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.3 0 CA-C-O 119.175 -0.791 . . . . 0.0 112.459 179.987 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -124.78 -54.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.903 0.382 . . . . 0.0 110.848 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.8 m -47.52 145.19 2.69 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.854 -179.804 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.45 -171.87 32.08 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.466 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.4 p -78.75 93.53 4.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.848 -179.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.5 p -75.97 100.97 5.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 -179.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.28 137.07 6.24 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.473 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 26.5 mtmt -103.45 138.35 40.29 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.836 0.35 . . . . 0.0 110.879 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -125.63 42.96 3.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.107 179.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -80.93 -40.99 23.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 -179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.89 -35.94 64.74 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.9 tp -80.7 44.18 0.71 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.954 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -82.91 104.67 13.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -95.78 -58.93 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 pt20 -127.53 151.54 48.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.895 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.548 ' HA ' HD12 ' A' ' 19' ' ' ILE . 4.8 m170 -64.44 -65.41 0.68 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.831 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.49 ' C ' ' O ' ' A' ' 16' ' ' HIS . 17.1 mm100 -30.78 -46.82 0.09 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 -179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.488 HD13 ' O ' ' A' ' 18' ' ' LEU . 0.4 OUTLIER -66.52 -50.87 61.79 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.938 179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 16' ' ' HIS . 57.9 mt -49.95 -54.74 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.107 179.835 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.589 HD13 HG12 ' A' ' 72' ' ' VAL . 18.4 mt -47.17 -44.37 21.97 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 8.6 t -66.27 -42.87 87.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.7 mttm -50.87 -47.67 60.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.891 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.9 HD11 HE21 ' A' ' 86' ' ' GLN . 24.1 mt -54.61 -49.34 70.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.888 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.628 HD21 ' CD2' ' A' ' 50' ' ' PHE . 11.6 mt -63.52 -26.56 68.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 179.857 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 18.1 mtp180 -92.85 -3.11 55.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.891 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -89.43 29.34 1.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.873 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 42.16 38.65 1.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.848 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 43.6 m-20 -123.83 -44.96 2.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 5.8 m-80 -112.08 30.57 6.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 -179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 20.6 mttm -68.17 -17.27 64.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.9 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.4 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 20.3 m-85 -138.17 149.08 45.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.403 ' O ' ' HA ' ' A' ' 36' ' ' GLU . 12.8 t -41.77 147.91 0.18 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.86 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.625 ' HB2' ' ND2' ' A' ' 90' ' ' ASN . . . -80.22 8.06 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.071 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 55.0 m-20 -134.96 -65.56 0.62 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 17.6 p -92.61 11.1 27.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.878 -179.891 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.444 ' C ' ' O ' ' A' ' 35' ' ' CYS . 45.1 mm-40 35.0 47.51 0.27 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.908 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.498 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -65.89 160.08 24.15 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.482 . . . . 0.0 111.051 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.2 mtpm? -89.03 102.83 15.47 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 100.19 58.18 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.495 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 81.19 0.84 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.679 2.253 . . . . 0.0 112.363 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -62.5 -73.62 0.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . . . . . . . . . 62.6 m95 -50.51 167.64 0.06 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -162.28 140.25 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.13 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -98.65 106.25 18.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 27.8 p-90 -65.25 -56.16 14.35 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.893 -179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.476 ' ND2' ' HA ' ' A' ' 67' ' ' SER . 0.4 OUTLIER -33.7 -39.61 0.06 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.891 179.974 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.502 HD13 ' CE2' ' A' ' 122' ' ' TYR . 68.0 mt -94.99 -40.72 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . 0.486 ' O ' ' N ' ' A' ' 89' ' ' GLY . . . 97.28 31.46 6.84 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.487 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.595 HG11 ' HB2' ' A' ' 93' ' ' ALA . 16.8 m -136.99 146.73 27.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.853 0.358 . . . . 0.0 111.116 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.628 ' CD2' HD21 ' A' ' 24' ' ' LEU . 26.4 m-85 -87.33 133.4 33.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.3 pt -133.2 169.49 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.128 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.2 p -85.5 179.01 7.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.925 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 16.0 tt -70.77 -35.01 58.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.097 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.508 ' NH2' HG21 ' A' ' 114' ' ' VAL . 7.2 tmm_? -59.57 -65.73 0.63 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.862 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.548 ' SG ' HD11 ' A' ' 118' ' ' ILE . 95.5 m -53.43 -45.23 69.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.859 -179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.877 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -44.31 -52.15 7.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.105 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -50.33 -38.88 34.72 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.459 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.412 HD12 ' O ' ' A' ' 54' ' ' ARG . 4.3 mp -73.11 -38.63 55.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.825 0.345 . . . . 0.0 111.095 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 9.1 m-70 -55.17 -49.49 71.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 13.3 mtp180 -48.94 -47.66 43.55 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.869 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.412 ' O ' ' C ' ' A' ' 62' ' ' LEU . 75.2 m-20 -48.52 -49.77 34.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.909 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.426 ' CD2' ' HG2' ' A' ' 119' ' ' ARG . 24.2 mt -37.52 -54.33 1.14 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.865 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 136.76 143.73 4.67 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.436 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 27.7 m -57.11 -13.01 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.828 0.346 . . . . 0.0 111.153 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 21.8 p-80 -91.56 -28.38 17.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.891 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.421 HD12 ' O ' ' A' ' 62' ' ' LEU . 37.4 mt -89.1 -47.09 15.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.18 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.476 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 6.9 p -164.27 132.69 3.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.822 -179.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 14.1 mtm180 -109.77 127.27 54.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.877 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.8 t -99.2 140.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.113 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -167.05 143.32 4.39 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.416 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 0.7 OUTLIER -53.87 163.99 0.65 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 -179.916 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.589 HG12 HD13 ' A' ' 20' ' ' LEU . 3.4 t -89.7 -42.08 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.154 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 3.4 t30 -102.69 -56.43 2.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.879 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.416 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 76.5 mt -44.33 -38.3 3.83 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.917 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -94.76 163.5 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.902 179.836 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -96.46 142.42 28.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.968 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 16.6 m95 -126.24 163.81 22.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.917 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 58.2 p -125.97 140.52 52.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.136 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -37.73 -46.34 0.89 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -52.17 -50.24 62.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.493 ' OE1' ' CE3' ' A' ' 45' ' ' TRP . 8.4 mm-40 -67.62 -38.96 84.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 30.7 mm -50.77 -55.38 6.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.122 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . 0.427 ' HA ' ' NE2' ' A' ' 83' ' ' GLN . 6.2 tp60 -38.76 -53.27 1.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.414 ' O ' ' C ' ' A' ' 85' ' ' MET . 85.2 m -47.41 -58.88 3.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.414 ' C ' ' O ' ' A' ' 84' ' ' CYS . 82.4 mmm -36.66 -44.82 0.48 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.947 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.9 HE21 HD11 ' A' ' 23' ' ' LEU . 16.7 mp0 -78.3 -47.73 17.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.961 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -53.11 -28.96 28.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.848 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.1 tpt -108.03 -75.17 0.64 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.486 ' N ' ' O ' ' A' ' 48' ' ' GLY . . . 53.94 170.95 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . 0.625 ' ND2' ' HB2' ' A' ' 33' ' ' ALA . 1.1 m-80 -61.84 -42.22 98.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.937 0.399 . . . . 0.0 110.927 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 23.9 m -40.34 -72.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.105 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 11.0 mptt -59.51 -47.71 84.46 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.885 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.595 ' HB2' HG11 ' A' ' 49' ' ' VAL . . . -38.64 -48.57 1.47 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.123 179.81 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . 0.426 ' HG3' ' CD ' ' A' ' 98' ' ' GLU . 19.5 ttm180 -66.72 -40.14 88.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.845 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.25 -1.84 34.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.591 ' CD2' ' HB3' ' A' ' 132' ' ' ALA . 1.3 tm? -114.9 -69.75 0.84 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . . . . . . . . . 80.7 m-85 -70.37 -48.48 56.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.605 ' HG2' HD12 ' A' ' 101' ' ' LEU . 4.2 tt0 -83.22 35.04 0.48 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -110.52 -37.55 5.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.066 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . 0.415 ' HB2' ' C ' ' A' ' 127' ' ' TYR . 39.8 m-20 -88.57 21.0 3.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.605 HD12 ' HG2' ' A' ' 98' ' ' GLU . 16.3 mt -74.32 154.74 88.08 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.592 0.71 . . . . 0.0 110.937 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 150.89 68.68 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.656 2.238 . . . . 0.0 112.344 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -55.55 -29.3 58.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 16.9 p30 -112.8 42.18 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.535 ' CD2' HD13 ' A' ' 101' ' ' LEU . 15.1 t80 -63.94 144.5 57.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.896 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 8.6 tpp180 -133.25 99.67 4.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.868 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 34.2 ttm-85 -48.86 123.2 11.81 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.538 0.685 . . . . 0.0 110.881 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 136.91 34.18 Favored 'Trans proline' 0 C--N 1.341 0.133 0 C-N-CA 122.662 2.241 . . . . 0.0 112.36 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -102.28 -38.72 7.52 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.939 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 69.5 p -86.32 152.77 22.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.07 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -59.88 -45.81 91.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.897 179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -39.0 -35.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.437 ' O ' ' C ' ' A' ' 114' ' ' VAL . . . -93.68 -65.36 1.0 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.508 HG21 ' NH2' ' A' ' 54' ' ' ARG . 74.5 t -34.98 -54.03 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.117 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 13.8 tm-20 -43.05 -48.26 6.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 -75.31 -51.71 12.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.428 ' O ' ' CB ' ' A' ' 121' ' ' LYS . 78.7 t80 -42.55 -45.76 4.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.548 HD11 ' SG ' ' A' ' 55' ' ' CYS . 88.5 mt -69.95 -38.02 74.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.098 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.498 ' O ' ' N ' ' A' ' 123' ' ' GLU . 34.9 mtp85 -65.47 -59.71 3.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.904 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -65.25 -11.33 40.15 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.455 ' HG2' ' CD1' ' A' ' 122' ' ' TYR . 0.0 OUTLIER -89.78 -43.38 10.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.867 -179.985 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.502 ' CE2' HD13 ' A' ' 47' ' ' ILE . 64.0 m-85 -104.29 -47.22 4.19 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.909 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.498 ' N ' ' O ' ' A' ' 119' ' ' ARG . 8.8 tt0 -62.36 -64.72 0.84 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.92 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 26.8 mmmt -73.69 -21.54 60.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 50.5 mmtt 59.18 37.92 23.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 25.9 mtpt -62.63 -64.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.593 ' CD2' HD23 ' A' ' 101' ' ' LEU . 0.7 OUTLIER -84.32 36.86 0.6 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.97 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -99.08 118.21 35.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.946 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.485 ' O ' HD21 ' A' ' 96' ' ' LEU . 13.6 t0 -99.76 105.44 17.23 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.849 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.416 ' HG3' ' N ' ' A' ' 131' ' ' ASN . 5.9 ptpt -81.64 -28.21 33.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.913 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.416 ' N ' ' HG3' ' A' ' 130' ' ' LYS . 0.6 OUTLIER -55.58 -40.41 71.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.888 179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.591 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -36.1 -63.27 0.39 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.12 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.715 ' H ' HD12 ' A' ' 133' ' ' ILE . 5.3 mp -49.26 -58.43 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.14 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -73.43 175.88 6.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.091 179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 66.4 mt -85.02 143.06 12.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 99.3 p -74.84 143.67 43.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -93.27 -158.16 33.92 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.457 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 114.24 3.64 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.678 2.252 . . . . 0.0 112.348 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 3.4 m -61.12 128.47 36.59 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 28.5 m -101.79 166.41 10.68 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.852 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.349 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.48 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.457 ' O ' ' N ' ' A' ' 4' ' ' GLY . 2.3 t -113.73 161.54 17.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.876 0.37 . . . . 0.0 110.859 -179.747 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 4' ' ' GLY . 1.6 t -52.85 87.36 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.846 -179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.457 ' N ' ' O ' ' A' ' 2' ' ' SER . . . 37.96 90.87 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.514 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -101.12 97.0 7.59 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.908 0.385 . . . . 0.0 110.879 -179.726 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.9 t -96.48 93.2 6.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.842 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -153.83 49.37 0.51 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.505 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -84.79 119.71 25.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.784 0.326 . . . . 0.0 110.945 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -117.52 40.11 3.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.064 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -59.88 -44.99 93.9 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -81.23 -54.6 5.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.859 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.7 tp -40.66 -50.15 3.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.956 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 67.5 m-20 -64.86 127.83 33.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.7 mp0 -119.5 -46.56 2.48 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.617 ' H ' ' NE2' ' A' ' 15' ' ' GLN . 1.3 pm0 -105.7 138.52 41.75 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.93 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.805 ' HA ' HD12 ' A' ' 19' ' ' ILE . 21.8 m170 -70.67 -56.07 7.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.903 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.449 ' C ' ' O ' ' A' ' 16' ' ' HIS . 35.5 mm-40 -33.84 -48.29 0.29 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.874 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.455 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 10.2 tp -64.73 -48.78 73.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.957 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.805 HD12 ' HA ' ' A' ' 16' ' ' HIS . 78.5 mt -45.57 -47.48 4.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.112 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.734 HD13 HG12 ' A' ' 72' ' ' VAL . 13.4 mt -54.22 -47.01 72.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.899 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 49.8 m -59.79 -44.12 94.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.84 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.414 ' HE3' ' CD2' ' A' ' 18' ' ' LEU . 1.5 mptm? -49.02 -47.84 44.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.929 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.762 HD11 ' OE1' ' A' ' 86' ' ' GLN . 35.6 mt -55.7 -55.8 28.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.951 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.696 HD21 ' CD2' ' A' ' 50' ' ' PHE . 96.7 mt -47.87 -46.18 31.15 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.92 179.866 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . 0.46 ' N ' ' HD2' ' A' ' 25' ' ' ARG . 4.8 mmm180 -41.67 -47.22 3.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -55.77 144.39 27.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.408 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 50.9 mm-40 -62.87 -28.17 69.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 74.2 m-20 -66.71 -16.59 64.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . 0.45 ' N ' ' OD1' ' A' ' 29' ' ' ASN . 0.8 OUTLIER -125.45 15.22 8.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.842 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 0.6 OUTLIER -72.42 -23.85 61.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.916 179.846 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.426 ' HB3' ' C ' ' A' ' 36' ' ' GLU . 3.8 m-85 -136.47 161.41 35.93 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . . . . . . . . . 11.4 t -46.07 162.51 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.904 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -96.56 5.83 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.094 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -132.27 -49.2 0.92 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.66 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.9 p -108.97 11.73 25.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.426 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 18.1 pt-20 36.58 39.03 0.09 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.66 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -62.06 156.41 21.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.13 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 26.9 tttt -88.4 108.37 19.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.879 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 97.29 60.32 0.96 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.481 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 80.81 0.86 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.684 2.256 . . . . 0.0 112.368 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 42' ' ' TRP . 13.1 tpp180 -58.63 -75.93 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.886 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.431 ' N ' ' HG3' ' A' ' 41' ' ' ARG . 78.8 m95 -48.04 170.88 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -168.2 119.43 0.81 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.112 179.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 2.1 m -78.85 113.04 16.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.853 -179.79 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.583 ' HB3' ' CZ3' ' A' ' 77' ' ' TRP . 46.4 p-90 -74.96 -52.09 12.06 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.469 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.4 OUTLIER -43.03 -36.53 1.62 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 -179.952 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.521 HD13 ' CE1' ' A' ' 122' ' ' TYR . 97.9 mt -90.25 -46.49 14.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.153 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 101.84 41.43 2.48 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.9 m -150.35 157.82 5.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.832 0.349 . . . . 0.0 111.129 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.696 ' CD2' HD21 ' A' ' 24' ' ' LEU . 90.1 m-85 -95.9 124.8 40.07 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 16.3 pt -128.84 155.71 40.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.138 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -73.04 -174.75 1.6 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 10.5 tt -75.27 -32.25 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.115 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 7.7 tmm_? -64.98 -69.29 0.3 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . . . . . . . . . 89.7 m -45.13 -46.41 11.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.905 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.772 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -49.76 -53.51 24.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.086 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -42.83 -25.68 0.36 Allowed Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.451 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.487 ' O ' ' ND2' ' A' ' 61' ' ' ASN . 4.4 mp -90.01 -35.07 7.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.878 0.37 . . . . 0.0 111.096 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 14.8 m-70 -62.36 -34.29 76.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.6 mtp180 -63.62 -47.36 81.71 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.494 ' OD1' ' N ' ' A' ' 62' ' ' LEU . 0.3 OUTLIER -55.33 -48.3 74.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.895 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.832 ' O ' HD12 ' A' ' 66' ' ' ILE . 38.5 mt -33.35 -51.21 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.915 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . 0.468 ' O ' ' N ' ' A' ' 66' ' ' ILE . . . 139.12 127.74 2.49 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.462 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 18.5 m -41.6 -39.18 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.862 0.363 . . . . 0.0 111.121 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.525 ' CD2' HG13 ' A' ' 66' ' ' ILE . 26.6 p-80 -70.05 -34.1 72.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.839 HD13 ' HG3' ' A' ' 123' ' ' GLU . 74.2 mt -76.54 -54.97 12.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.111 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.427 ' HA ' ' CG ' ' A' ' 46' ' ' ASN . 5.2 m -156.11 135.58 12.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.9 mtt180 -110.61 138.12 47.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.869 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.772 HG11 ' HB1' ' A' ' 56' ' ' ALA . 59.1 t -113.11 136.81 48.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 2.3 ptpp? -162.93 131.22 3.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 72.5 m -46.62 166.34 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.867 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.734 HG12 HD13 ' A' ' 20' ' ' LEU . 0.9 OUTLIER -92.96 -36.67 7.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.119 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . 0.468 ' CG ' ' N ' ' A' ' 74' ' ' LEU . 0.5 OUTLIER -110.01 -50.37 2.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' N ' ' CG ' ' A' ' 73' ' ' ASN . 50.3 mt -50.52 -26.65 5.43 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.904 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -115.43 167.69 10.65 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.876 179.847 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 31.2 mt-30 -101.2 151.27 22.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.583 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 14.0 m95 -125.86 177.39 6.33 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.412 ' O ' ' C ' ' A' ' 79' ' ' ALA . 65.1 p -136.5 139.34 42.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.138 -179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.412 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -36.07 -44.08 0.37 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.09 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -47.48 -61.9 1.7 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.9 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.466 ' HG2' ' CE3' ' A' ' 45' ' ' TRP . 52.7 mt-30 -65.62 -41.96 92.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 36.1 mm -47.91 -59.51 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.113 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 7.2 tp-100 -47.02 -28.95 1.85 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 4.8 t -67.64 -45.09 76.35 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.479 ' HB3' ' CD1' ' A' ' 23' ' ' LEU . 93.6 mmm -52.59 -47.29 67.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.762 ' OE1' HD11 ' A' ' 23' ' ' LEU . 3.4 mp0 -70.03 -46.81 64.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.918 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -56.79 -61.32 2.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.877 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 5.0 tpt -73.68 -72.26 0.27 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.824 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 60.47 164.96 0.2 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.515 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -60.14 -37.33 79.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.843 0.354 . . . . 0.0 110.868 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.7 m -42.97 -71.39 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.129 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 1.5 mptp? -57.63 -47.37 82.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.901 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . . . . . . . . . . . -39.26 -41.19 0.85 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 7.6 ttm-85 -72.5 -42.99 64.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . . . . . . . . . 26.1 mt -71.82 -7.99 51.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.615 ' CD2' ' HB3' ' A' ' 132' ' ' ALA . 0.8 OUTLIER -110.16 -65.68 1.14 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.915 179.915 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.474 ' CZ ' ' CE1' ' A' ' 122' ' ' TYR . 85.3 m-85 -70.32 -49.56 48.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.941 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -85.03 34.96 0.56 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.857 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . . . . . . . . . . . -103.15 -34.31 8.9 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.096 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 40.0 m-20 -95.51 20.49 9.47 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.499 HD13 ' CD2' ' A' ' 105' ' ' PHE . 20.8 mt -78.32 154.82 79.48 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.592 0.71 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 140.73 43.4 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.628 2.218 . . . . 0.0 112.353 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -50.01 -33.04 16.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -99.68 28.09 4.93 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.854 -179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.499 ' CD2' HD13 ' A' ' 101' ' ' LEU . 38.7 t80 -58.49 157.34 9.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.402 ' N ' ' CG ' ' A' ' 105' ' ' PHE . 0.0 OUTLIER -161.87 111.37 1.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.89 -179.923 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 38.9 mtt85 -39.58 128.27 1.44 Allowed Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.623 0.725 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.407 ' O ' HG22 ' A' ' 114' ' ' VAL . 53.8 Cg_endo -69.74 107.32 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.677 2.251 . . . . 0.0 112.346 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . 0.463 ' NE2' ' HA ' ' A' ' 109' ' ' GLN . 0.0 OUTLIER -75.04 -22.39 58.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.841 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.538 ' O ' HG23 ' A' ' 114' ' ' VAL . 41.3 p -83.94 125.79 32.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.161 -179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -51.5 -47.93 63.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.863 179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 61.6 tp60 -50.68 -39.3 50.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -76.43 -47.78 21.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.16 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.538 HG23 ' O ' ' A' ' 110' ' ' THR . 58.0 t -46.6 -62.95 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.173 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -41.95 -57.62 2.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.491 ' O ' ' N ' ' A' ' 119' ' ' ARG . 15.8 m-85 -55.08 -56.46 19.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.845 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.585 ' CE2' ' HD3' ' A' ' 121' ' ' LYS . 36.0 t80 -34.18 -60.42 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.855 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.575 HG23 ' HD2' ' A' ' 122' ' ' TYR . 32.3 mt -60.72 -35.14 62.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.12 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.491 ' N ' ' O ' ' A' ' 116' ' ' PHE . 26.0 mmm-85 -60.89 -21.22 63.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.882 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.44 ' HA ' ' CG ' ' A' ' 124' ' ' LYS . 4.1 m-20 -118.93 -7.03 10.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.868 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.585 ' HD3' ' CE2' ' A' ' 117' ' ' PHE . 13.4 ttpt -89.04 -31.92 17.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.581 ' CE2' ' HE2' ' A' ' 121' ' ' LYS . 50.5 m-85 -113.84 -52.29 2.75 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.839 ' HG3' HD13 ' A' ' 66' ' ' ILE . 6.7 tt0 -61.35 -63.5 1.26 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.892 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . 0.44 ' CG ' ' HA ' ' A' ' 120' ' ' ASP . 17.7 mmmt -71.45 -19.44 62.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.514 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 31.0 mmtp 56.14 29.6 14.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.9 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 22.6 mtpt -51.54 -66.53 0.37 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.901 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.429 ' CD2' HD23 ' A' ' 101' ' ' LEU . 3.5 m-85 -82.81 37.16 0.52 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.943 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.514 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 47.9 t80 -99.09 121.85 41.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.976 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -97.78 99.93 11.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.854 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . . . . . . . . . 11.4 ptmt -71.61 -41.11 69.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.487 ' O ' ' HB3' ' A' ' 134' ' ' ALA . 5.9 t-20 -38.7 -45.86 1.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.846 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.615 ' HB3' ' CD2' ' A' ' 96' ' ' LEU . . . -45.53 -58.36 3.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . . . . . . . . . 69.2 mt -41.33 -40.06 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.156 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . 0.487 ' HB3' ' O ' ' A' ' 131' ' ' ASN . . . -48.69 105.92 0.09 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.103 179.798 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.633 HD12 ' HD3' ' A' ' 138' ' ' PRO . 11.1 pt -91.53 176.55 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.141 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 23.4 m -115.08 -56.83 2.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.423 ' HA2' ' HD2' ' A' ' 138' ' ' PRO . . . -166.95 103.74 0.21 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.513 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . 0.633 ' HD3' HD12 ' A' ' 135' ' ' ILE . 53.7 Cg_endo -69.75 125.55 12.28 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.323 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 94.3 p -83.28 95.94 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.901 -179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 47.1 t -87.34 146.17 26.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.833 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.169 -0.795 . . . . 0.0 112.523 -179.963 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.4 m -115.89 42.39 2.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.868 0.366 . . . . 0.0 110.871 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 40.1 t -79.63 120.04 23.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.883 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.36 49.46 0.67 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.503 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.2 p -152.75 112.59 3.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.91 0.385 . . . . 0.0 110.824 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.2 p -167.44 164.01 14.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.792 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.512 ' O ' ' N ' ' A' ' 9' ' ' ALA . . . 105.84 -142.77 15.63 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.489 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . 0.464 ' O ' ' CG ' ' A' ' 8' ' ' LYS . 1.3 ptpp? 37.88 26.67 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.734 0.302 . . . . 0.0 110.84 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 7' ' ' GLY . . . -91.19 42.87 1.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.082 179.819 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 91.0 mt-30 -83.65 -49.8 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.942 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt -69.54 -40.59 76.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -79.77 45.11 0.67 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 32.1 p30 -92.02 127.19 37.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.896 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -119.23 -47.61 2.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.926 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -147.25 139.42 24.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.893 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.514 ' CG ' HG13 ' A' ' 82' ' ' ILE . 5.5 m170 -53.36 -61.34 2.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.857 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.443 ' C ' ' O ' ' A' ' 16' ' ' HIS . 6.8 mp0 -34.23 -51.99 0.46 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.898 -179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 61.8 tp -63.02 -51.05 68.28 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.952 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 82.1 mt -50.69 -63.45 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.605 HD13 HG12 ' A' ' 72' ' ' VAL . 34.8 mt -43.21 -38.71 2.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.95 179.87 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 75.6 m -72.49 -43.13 64.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.1 mtmt -56.91 -37.04 70.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 28.0 mt -65.84 -52.55 49.48 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.89 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 39.7 mt -52.22 -49.78 63.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.939 179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 29.1 mtp180 -43.52 -37.81 2.62 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -62.67 136.44 57.88 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.488 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 0.2 OUTLIER -51.65 -36.08 44.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.872 -179.91 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -59.18 -24.81 63.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.878 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 20.9 m-20 -121.91 32.87 5.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.488 ' CG ' ' HA ' ' A' ' 27' ' ' GLU . 37.9 mmtt -85.23 -29.45 24.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.889 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . . . . . . . . . 11.5 m-85 -130.12 172.24 11.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.489 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 12.2 t -61.04 167.02 3.16 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.923 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.88 -8.77 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.048 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 50.3 m-20 -116.45 -53.17 2.54 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . 0.565 ' SG ' ' HB2' ' A' ' 37' ' ' ALA . 16.9 p -107.22 9.7 30.09 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.932 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.489 ' N ' ' HB3' ' A' ' 32' ' ' CYS . 28.3 mt-10 35.99 43.7 0.21 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.936 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.565 ' HB2' ' SG ' ' A' ' 35' ' ' CYS . . . -63.96 163.41 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 15.4 tttm -89.18 112.98 24.13 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.916 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 86.2 62.78 1.55 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.5 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 80.18 0.91 Allowed 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.635 2.224 . . . . 0.0 112.347 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -58.85 -77.67 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.666 ' NE1' HD13 ' A' ' 53' ' ' ILE . 55.5 m95 -44.57 167.01 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.407 ' HB2' ' CD2' ' A' ' 50' ' ' PHE . . . -162.52 135.47 5.86 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.137 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -93.11 95.73 9.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.903 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.584 ' HB3' ' CH2' ' A' ' 77' ' ' TRP . 22.0 p-90 -59.76 -50.41 73.93 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.933 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.478 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 0.9 OUTLIER -35.98 -48.35 0.58 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.881 -179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . . . . . . . . . 71.5 mt -86.81 -48.76 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.133 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 109.84 36.54 2.01 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.494 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.465 HG11 ' CB ' ' A' ' 93' ' ' ALA . 35.7 m -139.72 152.89 22.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.853 0.359 . . . . 0.0 111.158 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.407 ' CD2' ' HB2' ' A' ' 43' ' ' ALA . 96.2 m-85 -92.7 124.77 36.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.905 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 37.7 pt -128.96 161.98 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.112 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 29.7 p -79.57 174.87 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.666 HD13 ' NE1' ' A' ' 42' ' ' TRP . 5.9 tp -66.03 -41.43 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.144 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.69 ' O ' HD12 ' A' ' 58' ' ' ILE . 7.8 tmm_? -54.64 -56.76 15.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.919 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.513 ' HA ' HD13 ' A' ' 58' ' ' ILE . 88.4 m -61.11 -44.15 97.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.886 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.697 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -48.05 -49.86 29.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.058 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -49.88 -39.51 32.71 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.471 -179.914 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.69 HD12 ' O ' ' A' ' 54' ' ' ARG . 5.2 mp -71.52 -43.98 71.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-O 120.887 0.375 . . . . 0.0 111.156 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 3.8 m-70 -49.22 -51.24 34.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.863 179.856 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -45.56 -50.46 13.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.461 ' ND2' ' HA ' ' A' ' 58' ' ' ILE . 4.0 m-20 -51.51 -50.65 59.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.894 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.666 ' O ' HD12 ' A' ' 66' ' ' ILE . 30.8 mt -35.07 -52.34 0.56 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 134.92 134.12 3.35 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.479 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 5.6 m -47.23 -30.87 1.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.795 0.331 . . . . 0.0 111.099 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.571 ' CD2' HG13 ' A' ' 66' ' ' ILE . 41.8 p-80 -72.3 -31.4 65.67 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.896 179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.666 HD12 ' O ' ' A' ' 62' ' ' LEU . 27.5 mt -85.11 -53.98 9.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.129 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.3 p -152.19 140.33 20.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 86.4 mtt180 -115.53 115.18 26.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.872 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.697 HG11 ' HB1' ' A' ' 56' ' ' ALA . 61.2 t -89.94 138.89 18.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.144 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . 0.473 ' NZ ' ' CD1' ' A' ' 77' ' ' TRP . 10.4 ptmm? -166.41 134.57 2.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.914 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.468 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 42.3 m -48.75 149.84 1.64 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.895 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.605 HG12 HD13 ' A' ' 20' ' ' LEU . 16.5 t -74.18 -57.19 7.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.138 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 38.7 t30 -91.66 -60.16 1.95 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 62.6 mt -39.13 -43.21 1.03 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.929 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -88.1 156.08 19.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.887 179.832 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -88.43 142.1 28.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.584 ' CH2' ' HB3' ' A' ' 45' ' ' TRP . 14.4 m95 -127.74 157.69 39.66 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.89 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . 0.421 ' O ' ' C ' ' A' ' 79' ' ' ALA . 70.5 p -123.37 144.64 49.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.156 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.421 ' C ' ' O ' ' A' ' 78' ' ' THR . . . -35.37 -43.37 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 17.4 tt0 -49.33 -62.27 1.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.491 ' OE1' ' CD2' ' A' ' 45' ' ' TRP . 60.9 mt-30 -61.05 -47.69 85.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.89 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . 0.514 HG13 ' CG ' ' A' ' 16' ' ' HIS . 33.2 mm -43.35 -57.18 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.115 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 31.2 tp60 -47.76 -42.16 24.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.895 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 85' ' ' MET . 21.6 t -52.03 -59.71 4.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . 0.441 ' C ' ' O ' ' A' ' 84' ' ' CYS . 86.0 mmm -34.53 -52.44 0.5 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.865 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.489 ' NE2' ' O ' ' A' ' 82' ' ' ILE . 3.2 mp0 -65.64 -50.63 64.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.87 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -46.82 -59.16 3.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.854 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 7.1 tpt -81.99 -70.32 0.55 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 58.19 171.31 0.27 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.526 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -66.97 -42.98 84.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.897 0.38 . . . . 0.0 110.907 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 30.7 m -38.86 -68.85 0.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.183 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . . . . . . . . . 22.3 mtpp -63.92 -45.32 89.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.465 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -42.13 -40.33 2.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.101 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 43.4 ttt180 -70.86 -48.46 53.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.888 -179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.833 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 22.6 mt -64.09 -18.02 63.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.904 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -98.41 -67.12 0.86 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.947 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.62 ' CE1' ' CD2' ' A' ' 122' ' ' TYR . 83.8 m-85 -69.94 -51.61 31.4 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.896 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.473 ' CD ' ' HZ1' ' A' ' 121' ' ' LYS . 5.1 mm-40 -84.62 35.73 0.57 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.899 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.833 ' HB2' ' O ' ' A' ' 95' ' ' LEU . . . -100.12 -47.11 5.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.053 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -86.45 21.94 1.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.859 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.569 HD22 ' CD1' ' A' ' 105' ' ' PHE . 16.0 mt -58.21 146.37 70.56 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.702 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . 0.411 ' HD3' ' CE2' ' A' ' 127' ' ' TYR . 53.4 Cg_endo -69.78 138.71 38.41 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -45.86 -36.5 5.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.901 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' CG ' ' O ' ' A' ' 104' ' ' ASN . 0.3 OUTLIER -102.26 38.35 1.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.86 -179.929 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.569 ' CD1' HD22 ' A' ' 101' ' ' LEU . 29.4 t80 -64.18 143.8 57.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 21.4 ttm180 -152.93 106.26 3.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.849 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 12.9 mtm105 -41.16 119.69 1.81 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.581 0.705 . . . . 0.0 110.888 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.8 127.4 14.5 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.327 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 6.2 mm-40 -90.42 -40.35 12.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.946 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.613 ' O ' HG23 ' A' ' 114' ' ' VAL . 24.4 p -68.53 140.0 55.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.135 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.47 ' O ' ' N ' ' A' ' 113' ' ' ALA . 2.9 m-20 -59.95 -63.53 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.474 ' NE2' ' HB ' ' A' ' 110' ' ' THR . 7.3 pm0 -37.24 -30.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.906 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . 0.47 ' N ' ' O ' ' A' ' 111' ' ' ASP . . . -85.57 -50.47 7.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.623 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 99.2 t -48.53 -57.01 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . 0.524 ' CG ' HG12 ' A' ' 58' ' ' ILE . 10.7 mt-10 -40.39 -49.08 2.8 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . 0.439 ' O ' ' C ' ' A' ' 117' ' ' PHE . 23.4 m-85 -68.45 -62.93 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.884 -179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.572 ' CE1' ' HE3' ' A' ' 121' ' ' LYS . 9.1 t80 -33.82 -47.47 0.25 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . . . . . . . . . 63.4 mt -72.62 -45.45 58.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.112 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . 0.601 ' HG3' HD21 ' A' ' 62' ' ' LEU . 41.0 mtt180 -58.38 -58.16 9.73 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 -64.33 -19.01 65.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.878 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.572 ' HE3' ' CE1' ' A' ' 117' ' ' PHE . 7.5 ttmt -80.92 -46.28 15.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.894 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.62 ' CD2' ' CE1' ' A' ' 97' ' ' TYR . 95.8 m-85 -100.67 -52.69 3.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 119' ' ' ARG . 5.7 tt0 -54.28 -64.45 0.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.9 mtpp -76.81 -19.99 56.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.881 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . . . . . . . . . 30.8 mmtm 62.93 34.23 14.32 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.9 179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . . . . . . . . . 33.9 mtpt -55.85 -64.69 0.77 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.912 179.879 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.411 ' CE2' ' HD3' ' A' ' 102' ' ' PRO . 3.1 m-85 -84.61 37.47 0.64 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . . . . . . . . . 54.5 t80 -99.98 120.7 40.22 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.937 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -93.97 103.73 15.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.838 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' A' ' 131' ' ' ASN . 51.5 pttt -77.49 -39.94 44.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.96 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 132' ' ' ALA . 82.6 m-20 -38.35 -46.37 1.11 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.857 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -35.95 -45.63 0.42 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.102 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.705 HG22 ' O ' ' A' ' 133' ' ' ILE . 49.5 mm 33.33 54.95 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.148 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -88.68 178.08 6.58 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.082 179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . 0.622 HD12 ' N ' ' A' ' 136' ' ' SER . 0.1 OUTLIER -103.45 119.73 52.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.127 179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . 0.622 ' N ' HD12 ' A' ' 135' ' ' ILE . 1.6 t -104.23 -65.06 1.05 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.889 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . 0.404 ' C ' ' H ' ' A' ' 139' ' ' SER . . . 116.97 -97.96 0.77 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 10.03 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.672 2.248 . . . . 0.0 112.361 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 137' ' ' GLY . 3.4 m -107.94 163.19 13.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.905 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 20.9 t -105.4 44.25 1.05 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.174 -0.792 . . . . 0.0 112.493 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.371 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 t -68.74 118.33 11.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.863 0.363 . . . . 0.0 110.891 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.5 p -105.29 173.01 6.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.839 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -112.98 131.49 10.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.467 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -80.93 149.57 29.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 0.0 110.845 -179.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.2 p -54.82 169.1 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.871 -179.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 81.55 90.73 0.57 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt -124.74 175.91 6.93 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 0.0 110.934 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -87.66 41.48 0.99 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.094 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.6 pt20 -90.25 -46.47 8.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 ttpp -74.39 -49.64 21.78 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.911 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 20.0 tp -37.77 -44.27 0.72 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 5.0 m-80 -79.83 120.81 24.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -103.67 89.91 3.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.869 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.497 ' CG ' ' HB2' ' A' ' 18' ' ' LEU . 14.1 pt20 -156.44 137.7 13.8 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.92 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.488 ' HA ' HD12 ' A' ' 19' ' ' ILE . 15.9 m-70 -47.72 -66.84 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLN . . . . . 0.484 ' HA ' HD12 ' A' ' 20' ' ' LEU . 17.1 mp0 -30.63 -47.96 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.915 -179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.497 ' HB2' ' CG ' ' A' ' 15' ' ' GLN . 0.3 OUTLIER -59.33 -51.19 70.99 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.488 HD12 ' HA ' ' A' ' 16' ' ' HIS . 19.0 mt -57.78 -50.41 77.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.119 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 17' ' ' GLN . 45.2 mt -46.31 -39.59 10.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.883 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 26.3 t -66.66 -47.65 71.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.847 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -49.32 -36.88 22.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.912 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.591 HD11 HE21 ' A' ' 86' ' ' GLN . 43.5 mt -64.59 -50.08 68.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 84.9 mt -56.95 -46.0 82.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.906 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ARG . . . . . . . . . . . . . 11.4 mtp85 -42.95 -39.36 2.56 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -65.2 135.72 55.78 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.937 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLU . . . . . 0.473 ' HA ' ' CG ' ' A' ' 30' ' ' LYS . 10.2 tt0 -53.39 -31.34 44.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ASP . . . . . . . . . . . . . 54.2 m-20 -60.96 -28.88 69.3 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -121.37 27.09 8.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.84 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.568 ' HB3' ' CE1' ' A' ' 31' ' ' TYR . 23.4 mmtt -80.32 -28.33 38.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.908 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' TYR . . . . . 0.568 ' CE1' ' HB3' ' A' ' 30' ' ' LYS . 1.8 m-85 -133.28 169.48 16.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.949 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' CYS . . . . . 0.464 ' HB3' ' N ' ' A' ' 36' ' ' GLU . 20.2 t -54.15 166.18 0.42 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.864 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -97.25 -6.28 34.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.099 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 58.3 m-20 -117.16 -54.85 2.38 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' CYS . . . . . . . . . . . . . 26.0 p -106.52 7.3 30.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.907 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLU . . . . . 0.473 ' C ' ' HB3' ' A' ' 31' ' ' TYR . 3.9 pt-20 38.77 46.76 1.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.907 -179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -62.65 161.65 11.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.121 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.3 mtmt -89.23 103.07 15.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.912 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 96.23 68.4 0.99 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.464 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 82.18 0.77 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.651 2.234 . . . . 0.0 112.339 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.32 -61.47 2.57 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.902 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TRP . . . . . 0.609 ' NE1' HD13 ' A' ' 53' ' ' ILE . 54.6 m95 -67.72 166.86 14.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.503 ' HB3' HG22 ' A' ' 72' ' ' VAL . . . -163.9 141.07 6.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' SER . . . . . . . . . . . . . 1.5 m -101.24 102.66 13.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TRP . . . . . 0.578 ' CE3' ' HG3' ' A' ' 81' ' ' GLN . 52.9 p-90 -64.51 -53.75 43.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.929 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.503 ' N ' ' CG ' ' A' ' 45' ' ' TRP . 7.2 t30 -38.52 -41.69 0.69 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.856 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ILE . . . . . 0.597 HD13 ' CE2' ' A' ' 122' ' ' TYR . 67.2 mt -88.06 -39.87 13.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.132 179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 94.94 47.97 2.56 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.488 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . 0.49 HG11 ' CB ' ' A' ' 93' ' ' ALA . 24.1 m -155.96 154.9 5.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.876 0.37 . . . . 0.0 111.137 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PHE . . . . . 0.412 ' HZ ' HD12 ' A' ' 23' ' ' LEU . 88.8 m-85 -97.25 126.3 42.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 29.5 pt -127.78 170.75 17.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.121 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 30.3 p -87.83 172.0 9.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.895 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.609 HD13 ' NE1' ' A' ' 42' ' ' TRP . 3.0 tp -63.98 -34.65 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.118 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' HD2' ' N ' ' A' ' 55' ' ' CYS . 6.7 tmm_? -60.41 -63.85 1.15 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.894 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' CYS . . . . . 0.46 ' N ' ' HD2' ' A' ' 54' ' ' ARG . 95.4 m -55.6 -36.93 67.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . 0.731 ' HB1' HG11 ' A' ' 69' ' ' VAL . . . -50.99 -50.67 57.96 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.112 179.889 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . -47.02 -41.34 14.08 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.482 -179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.46 ' H ' HD12 ' A' ' 58' ' ' ILE . 5.1 mp -69.38 -42.96 81.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.838 0.351 . . . . 0.0 111.129 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.414 ' HB2' HG21 ' A' ' 69' ' ' VAL . 19.4 m-70 -52.33 -52.26 54.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.838 179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 6.5 mtm105 -47.49 -46.11 26.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.851 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' LEU . 74.0 m-20 -56.82 -50.59 71.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' LEU . . . . . 0.444 ' C ' ' O ' ' A' ' 61' ' ' ASN . 41.4 mt -34.94 -57.68 0.54 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLY . . . . . . . . . . . . . . . 143.48 134.0 2.81 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.432 179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 30.3 m -47.2 -34.39 2.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.885 0.374 . . . . 0.0 111.133 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.56 ' CD2' HG13 ' A' ' 66' ' ' ILE . 27.1 p-80 -68.75 -39.19 80.44 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ILE . . . . . 0.56 HG13 ' CD2' ' A' ' 65' ' ' HIS . 18.0 mt -74.81 -41.36 47.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.141 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.472 ' HA ' ' ND2' ' A' ' 46' ' ' ASN . 30.3 t -169.17 140.01 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 21.0 mtp180 -112.89 104.11 12.1 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.731 HG11 ' HB1' ' A' ' 56' ' ' ALA . 60.9 t -75.78 140.04 17.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.153 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -168.73 148.2 4.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.49 ' CB ' ' HB2' ' A' ' 74' ' ' LEU . 26.8 m -59.57 159.19 8.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.888 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' VAL . . . . . 0.503 HG22 ' HB3' ' A' ' 43' ' ' ALA . 38.8 t -87.17 -43.62 15.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.13 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -96.74 -57.72 2.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.915 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.49 ' HB2' ' CB ' ' A' ' 71' ' ' SER . 98.4 mt -42.91 -62.71 0.94 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.937 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -69.84 160.35 31.93 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.839 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLN . . . . . . . . . . . . . 61.8 mt-30 -96.09 140.88 30.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' TRP . . . . . 0.562 ' CZ3' ' HB3' ' A' ' 45' ' ' TRP . 12.3 m95 -122.41 154.89 37.13 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.894 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' THR . . . . . . . . . . . . . 81.0 p -120.03 161.44 20.95 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.117 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -44.17 -43.2 6.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.086 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.5 mm-40 -54.67 -50.36 68.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' GLN . . . . . 0.578 ' HG3' ' CE3' ' A' ' 45' ' ' TRP . 5.5 mp0 -68.41 -50.01 55.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.861 -179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ILE . . . . . . . . . . . . . 45.7 mm -52.0 -51.84 27.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.146 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLN . . . . . . . . . . . . . 4.7 tp-100 -50.65 -46.32 58.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.908 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' CYS . . . . . . . . . . . . . 42.4 t -55.05 -52.15 64.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.929 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' MET . . . . . . . . . . . . . 89.8 mmm -43.98 -47.39 8.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLN . . . . . 0.591 HE21 HD11 ' A' ' 23' ' ' LEU . 13.9 mp0 -71.27 -50.45 32.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.904 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.23 -59.11 4.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' MET . . . . . . . . . . . . . 8.5 tpt -81.24 -72.62 0.42 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 64.2 174.79 3.72 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.507 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASN . . . . . . . . . . . . . 2.0 m-20 -68.45 -43.46 77.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.893 0.378 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 28.2 m -40.42 -66.46 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.115 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LYS . . . . . 0.47 ' O ' ' N ' ' A' ' 95' ' ' LEU . 36.3 mttm -62.37 -49.25 76.28 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.854 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ALA . . . . . 0.49 ' CB ' HG11 ' A' ' 49' ' ' VAL . . . -37.32 -40.16 0.33 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.113 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ARG . . . . . . . . . . . . . 20.8 mtp180 -73.52 -40.65 63.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' LEU . . . . . 0.569 ' O ' ' HB2' ' A' ' 99' ' ' ALA . 41.1 mt -71.34 -12.31 61.36 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.915 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.467 HD13 ' C ' ' A' ' 96' ' ' LEU . 1.0 OUTLIER -107.28 -62.8 1.37 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.918 179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' TYR . . . . . 0.573 ' CE2' ' CD2' ' A' ' 122' ' ' TYR . 79.0 m-85 -68.69 -51.64 39.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.916 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.895 ' HB3' HD12 ' A' ' 101' ' ' LEU . 22.7 mt-10 -91.08 38.66 0.97 Allowed 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.872 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ALA . . . . . 0.635 ' HB3' ' HB2' ' A' ' 129' ' ' ASP . . . -89.54 -40.21 12.79 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' ASN . . . . . . . . . . . . . 36.0 m-80 -87.96 19.51 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.895 HD12 ' HB3' ' A' ' 98' ' ' GLU . 19.7 mt -88.83 150.73 46.31 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.595 0.712 . . . . 0.0 110.937 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 141.81 46.23 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -46.78 -42.46 17.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.889 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -99.83 42.5 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.89 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' PHE . . . . . 0.491 ' CD2' HD22 ' A' ' 101' ' ' LEU . 1.8 t80 -62.72 150.82 40.2 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 93.4 mtt180 -132.53 108.34 9.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' ARG . . . . . . . . . . . . . 7.6 ptp85 -66.53 139.71 96.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.599 0.714 . . . . 0.0 110.884 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 136.62 33.35 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.628 2.219 . . . . 0.0 112.342 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -96.16 -38.09 10.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.452 ' O ' ' C ' ' A' ' 111' ' ' ASP . 80.5 p -76.33 121.67 23.33 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.156 -179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' ASP . . . . . 0.452 ' C ' ' O ' ' A' ' 110' ' ' THR . 0.9 OUTLIER -34.26 -53.49 0.5 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . 0.436 ' C ' ' O ' ' A' ' 111' ' ' ASP . 4.8 mt-30 -35.51 -67.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -57.39 -50.57 72.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.059 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' VAL . . . . . 0.402 HG21 ' CZ ' ' A' ' 54' ' ' ARG . 93.6 t -43.38 -53.01 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.075 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLU . . . . . . . . . . . . . 42.5 tt0 -49.15 -52.6 25.37 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.902 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PHE . . . . . . . . . . . . . 33.3 m-85 -62.03 -45.45 93.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' PHE . . . . . 0.41 ' CZ ' ' HD3' ' A' ' 121' ' ' LYS . 23.5 t80 -46.53 -56.35 6.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.886 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ILE . . . . . 0.543 HG23 ' CD1' ' A' ' 122' ' ' TYR . 19.4 mt -69.36 -36.01 70.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.148 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' ARG . . . . . . . . . . . . . 49.0 mtp180 -71.53 -8.95 57.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' ASP . . . . . 0.409 ' HB3' ' HD3' ' A' ' 126' ' ' LYS . 11.9 m-20 -119.91 -16.54 8.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.83 179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' LYS . . . . . 0.41 ' HD3' ' CZ ' ' A' ' 117' ' ' PHE . 17.6 ttpp -92.93 -39.19 11.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.905 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' TYR . . . . . 0.597 ' CE2' HD13 ' A' ' 47' ' ' ILE . 70.3 m-85 -98.89 -56.03 2.55 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.949 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' GLU . . . . . 0.481 ' HG2' HD13 ' A' ' 66' ' ' ILE . 2.8 tm-20 -59.58 -68.29 0.3 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.859 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 25.3 mmmt -64.54 -27.69 69.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' LYS . . . . . 0.525 ' HD2' ' CG ' ' A' ' 128' ' ' TYR . 32.1 mmtp 63.85 35.43 11.03 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.936 179.886 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LYS . . . . . 0.409 ' HD3' ' HB3' ' A' ' 120' ' ' ASP . 1.8 mtpm? -60.03 -71.86 0.12 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.921 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' TYR . . . . . 0.568 ' CD2' HD23 ' A' ' 101' ' ' LEU . 9.6 m-85 -70.66 -17.21 62.86 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' TYR . . . . . 0.525 ' CG ' ' HD2' ' A' ' 125' ' ' LYS . 67.0 t80 -51.78 121.09 5.99 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.894 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' ASP . . . . . 0.635 ' HB2' ' HB3' ' A' ' 99' ' ' ALA . 16.4 t70 -79.82 108.1 13.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.848 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' LYS . . . . . 0.492 ' HD2' ' N ' ' A' ' 131' ' ' ASN . 2.7 pptp? -84.73 -37.53 20.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' ASN . . . . . 0.492 ' N ' ' HD2' ' A' ' 130' ' ' LYS . 1.3 m120 -37.11 -39.75 0.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' ALA . . . . . 0.446 ' O ' ' C ' ' A' ' 133' ' ' ILE . . . -42.86 -47.61 5.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.103 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' ILE . . . . . 0.72 HG22 ' O ' ' A' ' 133' ' ' ILE . 40.2 mm 34.01 54.92 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.153 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' ALA . . . . . . . . . . . . . . . -142.43 156.06 45.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.074 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' ILE . . . . . . . . . . . . . 7.2 mt 67.61 53.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.165 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' SER . . . . . . . . . . . . . 87.5 p -74.13 113.2 11.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.826 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' GLY . . . . . . . . . . . . . . . -82.97 129.39 9.04 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 137.03 34.39 Favored 'Trans proline' 0 C--O 1.232 0.193 0 C-N-CA 122.7 2.267 . . . . 0.0 112.364 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' SER . . . . . . . . . . . . . 36.8 t -97.96 158.92 15.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' SER . . . . . . . . . . . . . 3.0 m -117.21 -51.92 2.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.88 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.495 179.983 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_